lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine

C68H78Cl3LiN16O5S2Si2 — CID 157377774

IUPAClithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine
SMILESCNC(=O)c1cnc(Cl)cc1Cl.CNC(=O)c1cnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1cnc(Nc2ccc(-c3ccccc3)cn2)cc1Nc1ncccc1S(C)(=O)=O.CSc1cccnc1N.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccc(-c2ccccc2)cn1.[Li+]
InChIInChI=1S/C24H22N6O3S.C13H13ClN4O.C12H11N.C7H6Cl2N2O.C6H8N2S.C6H18NSi2.Li/c1-25-24(31)18-15-28-22(13-19(18)29-23-20(34(2,32)33)9-6-12-26-23)30-21-11-10-17(14-27-21)16-7-4-3-5-8-16;1-8-4-3-5-16-12(8)18-10-6-11(14)17-7-9(10)13(19)15-2;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-10-7(12)4-3-11-6(9)2-5(4)8;1-9-5-3-2-4-8-6(5)7;1-8(2,3)7-9(4,5)6;/h3-15H,1-2H3,(H,25,31)(H2,26,27,28,29,30);3-7H,1-2H3,(H,15,19)(H,16,17,18);2-9H,1H3;2-3H,1H3,(H,10,12);2-4H,1H3,(H2,7,8);1-6H3;/q;;;;;-1;+1
InChIKeyBKNBMFNPYCEPNS-UHFFFAOYSA-N
MW1433.08 g/mol
LogP12.56
Rot. Bonds15

About lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine

lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine (PubChem CID 157377774) has the molecular formula C68H78Cl3LiN16O5S2Si2 and a molecular weight of 1433.08 g/mol. Its IUPAC name is lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine.

Molecular Properties

Compound Namelithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine
PubChem CID157377774
Molecular FormulaC68H78Cl3LiN16O5S2Si2
Molecular Weight1433.08 g/mol
Exact Mass1430.45
IUPAC Namelithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine
SMILESCNC(=O)c1cnc(Cl)cc1Cl.CNC(=O)c1cnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1cnc(Nc2ccc(-c3ccccc3)cn2)cc1Nc1ncccc1S(C)(=O)=O.CSc1cccnc1N.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccc(-c2ccccc2)cn1.[Li+]
InChIInChI=1S/C24H22N6O3S.C13H13ClN4O.C12H11N.C7H6Cl2N2O.C6H8N2S.C6H18NSi2.Li/c1-25-24(31)18-15-28-22(13-19(18)29-23-20(34(2,32)33)9-6-12-26-23)30-21-11-10-17(14-27-21)16-7-4-3-5-8-16;1-8-4-3-5-16-12(8)18-10-6-11(14)17-7-9(10)13(19)15-2;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-10-7(12)4-3-11-6(9)2-5(4)8;1-9-5-3-2-4-8-6(5)7;1-8(2,3)7-9(4,5)6;/h3-15H,1-2H3,(H,25,31)(H2,26,27,28,29,30);3-7H,1-2H3,(H,15,19)(H,16,17,18);2-9H,1H3;2-3H,1H3,(H,10,12);2-4H,1H3,(H2,7,8);1-6H3;/q;;;;;-1;+1
InChIKeyBKNBMFNPYCEPNS-UHFFFAOYSA-N
XLogP12.56
TPSA300.77 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms97
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001433.08
LogP ≤ 512.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine?
The IUPAC name of lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine (CID 157377774) is lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine.
What is the SMILES notation for lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine?
The canonical SMILES for lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine is CNC(=O)c1cnc(Cl)cc1Cl.CNC(=O)c1cnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1cnc(Nc2ccc(-c3ccccc3)cn2)cc1Nc1ncccc1S(C)(=O)=O.CSc1cccnc1N.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccc(-c2ccccc2)cn1.[Li+].
What is the InChIKey of lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine?
The InChIKey is BKNBMFNPYCEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S.C13H13ClN4O.C12H11N.C7H6Cl2N2O.C6H8N2S.C6H18NSi2.Li/c1-25-24(31)18-15-28-22(13-19(18)29-23-20(34(2,32)33)9-6-12-26-23)30-21-11-10-17(14-27-21)16-7-4-3-5-8-16;1-8-4-3-5-16-12(8)18-10-6-11(14)17-7-9(10)13(19)15-2;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-10-7(12)4-3-11-6(9)2-5(4)8;1-9-5-3-2-4-8-6(5)7;1-8(2,3)7-9(4,5)6;/h3-15H,1-2H3,(H,25,31)(H2,26,27,28,29,30);3-7H,1-2H3,(H,15,19)(H,16,17,18);2-9H,1H3;2-3H,1H3,(H,10,12);2-4H,1H3,(H2,7,8);1-6H3;/q;;;;;-1;+1.
What are the key properties of lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine?
lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine has a molecular weight of 1433.08 g/mol, XLogP of 12.56, 15 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]pyridine-3-carboxamide;2-methyl-5-phenylpyridine;3-methylsulfanylpyridin-2-amine is sourced from PubChem (CID 157377774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).