lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide

C99H104LiN35O12 — CID 159835239

IUPAClithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide
SMILESC.C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2ncn[nH]2)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)O)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)OC)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(N)=O)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(N)=O)c1C.[Li+].[OH-]
InChIInChI=1S/C20H19N9O.C20H20N6O3.2C19H19N7O2.C19H18N6O3.2CH4.Li.H2O/c1-12-13(19-23-11-24-29-19)6-5-7-14(12)25-15-10-17(26-16-8-3-4-9-22-16)27-28-18(15)20(30)21-2;1-12-13(20(28)29-3)7-6-8-14(12)23-15-11-17(24-16-9-4-5-10-22-16)25-26-18(15)19(27)21-2;2*1-11-12(18(20)27)6-5-7-13(11)23-14-10-16(24-15-8-3-4-9-22-15)25-26-17(14)19(28)21-2;1-11-12(19(27)28)6-5-7-13(11)22-14-10-16(23-15-8-3-4-9-21-15)24-25-17(14)18(26)20-2;;;;/h3-11H,1-2H3,(H,21,30)(H,23,24,29)(H2,22,25,26,27);4-11H,1-3H3,(H,21,27)(H2,22,23,24,25);2*3-10H,1-2H3,(H2,20,27)(H,21,28)(H2,22,23,24,25);3-10H,1-2H3,(H,20,26)(H,27,28)(H2,21,22,23,24);2*1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyNNZGLPKKOWBYHX-UHFFFAOYSA-M
MW1983.09 g/mol
LogP10.70
Rot. Bonds30

About lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide

lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide (PubChem CID 159835239) has the molecular formula C99H104LiN35O12 and a molecular weight of 1983.09 g/mol. Its IUPAC name is lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide.

Molecular Properties

Compound Namelithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide
PubChem CID159835239
Molecular FormulaC99H104LiN35O12
Molecular Weight1983.09 g/mol
Exact Mass1981.88
IUPAC Namelithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide
SMILESC.C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2ncn[nH]2)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)O)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)OC)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(N)=O)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(N)=O)c1C.[Li+].[OH-]
InChIInChI=1S/C20H19N9O.C20H20N6O3.2C19H19N7O2.C19H18N6O3.2CH4.Li.H2O/c1-12-13(19-23-11-24-29-19)6-5-7-14(12)25-15-10-17(26-16-8-3-4-9-22-16)27-28-18(15)20(30)21-2;1-12-13(20(28)29-3)7-6-8-14(12)23-15-11-17(24-16-9-4-5-10-22-16)25-26-18(15)19(27)21-2;2*1-11-12(18(20)27)6-5-7-13(11)23-14-10-16(24-15-8-3-4-9-22-15)25-26-17(14)19(28)21-2;1-11-12(19(27)28)6-5-7-13(11)22-14-10-16(23-15-8-3-4-9-21-15)24-25-17(14)18(26)20-2;;;;/h3-11H,1-2H3,(H,21,30)(H,23,24,29)(H2,22,25,26,27);4-11H,1-3H3,(H,21,27)(H2,22,23,24,25);2*3-10H,1-2H3,(H2,20,27)(H,21,28)(H2,22,23,24,25);3-10H,1-2H3,(H,20,26)(H,27,28)(H2,21,22,23,24);2*1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyNNZGLPKKOWBYHX-UHFFFAOYSA-M
XLogP10.70
TPSA680.50 Ų
H-Bond Donors19
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001983.09
LogP ≤ 510.70
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1038

Analyze lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide with MolForge

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Related Compounds

5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 87235833
ethyl 3-(4-pyrazin-2-ylpiperazin-1-yl)-4-(pyridine-3-carbonylamino)benzoate;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1H-pyrazole-4-carboxamide;N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]-2-prop-1-en-2-ylpyridine-3-carboxamide;N-[2-(4-pyrazin-2-ylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 160276967
4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;2,2,2-trifluoroacetaldehyde;1,1,1-trimethoxyethane
CID 161431763
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-tert-butyl-2-fluorobenzoic acid;5-[(2R,3R)-3-[(4-tert-butyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 2-amino-4-tert-butylbenzoate;methyl 4-tert-butyl-2-fluorobenzoate
CID 157050386
Sodium;ethyl 3-[[6-chloro-3-(methylcarbamoyl)pyridazin-4-yl]amino]-2-methylbenzoate;ethyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;pyridin-2-amine;hydroxide
CID 157597689
Sodium;acetamide;methyl 3-hydrazinyl-5-(5-methyl-2-pyridinyl)benzoate;methyl 3-(5-methyl-2-pyridinyl)-5-(5-methyl-1,2,4-triazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[3-(5-methyl-2-pyridinyl)-5-(5-methyl-1,2,4-triazol-1-yl)phenyl]propan-1-one;3-(5-methyl-2-pyridinyl)-5-(5-methyl-1,2,4-triazol-1-yl)benzoic acid;hydroxide;hydrochloride
CID 157773723
2-butyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;2-cyclopropyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;4-(4H-imidazol-2-yl)-N,6-dimethylpyridin-2-amine;methyl 2,6-diethylpyridine-4-carboxylate;methyl 2-ethyl-6-propan-2-ylpyridine-4-carboxylate;pentakis(N-methyl-3-(methylamino)benzamide);N-methyl-4-(2H-pyrrol-4-yl)pyridin-2-amine;N-methyl-4-(1H-1,2,4-triazol-5-yl)pyridin-2-amine
CID 157902483
4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane
CID 158036632
4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;deuteriomethane;fluoromethane;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
CID 158289086
4-[3-(2-aminoacetyl)-2-methylanilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;ethanol;hydrazine;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;1,1,1-trimethoxyethane
CID 158334375
lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide
CID 158367632
ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 159271968

Frequently Asked Questions

What is the IUPAC name of lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide?
The IUPAC name of lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide (CID 159835239) is lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide.
What is the SMILES notation for lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide?
The canonical SMILES for lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide is C.C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2ncn[nH]2)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)O)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(=O)OC)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(N)=O)c1C.CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(C(N)=O)c1C.[Li+].[OH-].
What is the InChIKey of lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide?
The InChIKey is NNZGLPKKOWBYHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19N9O.C20H20N6O3.2C19H19N7O2.C19H18N6O3.2CH4.Li.H2O/c1-12-13(19-23-11-24-29-19)6-5-7-14(12)25-15-10-17(26-16-8-3-4-9-22-16)27-28-18(15)20(30)21-2;1-12-13(20(28)29-3)7-6-8-14(12)23-15-11-17(24-16-9-4-5-10-22-16)25-26-18(15)19(27)21-2;2*1-11-12(18(20)27)6-5-7-13(11)23-14-10-16(24-15-8-3-4-9-22-15)25-26-17(14)19(28)21-2;1-11-12(19(27)28)6-5-7-13(11)22-14-10-16(23-15-8-3-4-9-21-15)24-25-17(14)18(26)20-2;;;;/h3-11H,1-2H3,(H,21,30)(H,23,24,29)(H2,22,25,26,27);4-11H,1-3H3,(H,21,27)(H2,22,23,24,25);2*3-10H,1-2H3,(H2,20,27)(H,21,28)(H2,22,23,24,25);3-10H,1-2H3,(H,20,26)(H,27,28)(H2,21,22,23,24);2*1H4;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide?
lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide has a molecular weight of 1983.09 g/mol, XLogP of 10.70, 30 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide is sourced from PubChem (CID 159835239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).