lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one

C57H57LiN14O9 — CID 158362034

IUPAClithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
SMILESCCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1ccccn1.COC(=O)c1ncccc1C(=O)c1ccccn1.NN.O=C(c1ccccn1)c1cccnc1C(=O)[O-].O=c1[nH]nc(-c2ccccn2)c2cccnc12.[Li+]
InChIInChI=1S/C13H10N2O3.C12H8N4O.C12H8N2O3.2C10H14N2O.Li.H4N2/c1-18-13(17)11-9(5-4-8-15-11)12(16)10-6-2-3-7-14-10;17-12-11-8(4-3-7-14-11)10(15-16-12)9-5-1-2-6-13-9;15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17;2*1-3-12(4-2)10(13)9-7-5-6-8-11-9;;1-2/h2-8H,1H3;2*1-7H,(H,16,17);2*5-8H,3-4H2,1-2H3;;1-2H2/q;;;;;+1;/p-1
InChIKeyCWHLLPDOUSLGGA-UHFFFAOYSA-M
MW1089.11 g/mol
LogP1.90
Rot. Bonds13

About lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one

lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one (PubChem CID 158362034) has the molecular formula C57H57LiN14O9 and a molecular weight of 1089.11 g/mol. Its IUPAC name is lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Namelithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
PubChem CID158362034
Molecular FormulaC57H57LiN14O9
Molecular Weight1089.11 g/mol
Exact Mass1088.46
IUPAC Namelithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
SMILESCCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1ccccn1.COC(=O)c1ncccc1C(=O)c1ccccn1.NN.O=C(c1ccccn1)c1cccnc1C(=O)[O-].O=c1[nH]nc(-c2ccccn2)c2cccnc12.[Li+]
InChIInChI=1S/C13H10N2O3.C12H8N4O.C12H8N2O3.2C10H14N2O.Li.H4N2/c1-18-13(17)11-9(5-4-8-15-11)12(16)10-6-2-3-7-14-10;17-12-11-8(4-3-7-14-11)10(15-16-12)9-5-1-2-6-13-9;15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17;2*1-3-12(4-2)10(13)9-7-5-6-8-11-9;;1-2/h2-8H,1H3;2*1-7H,(H,16,17);2*5-8H,3-4H2,1-2H3;;1-2H2/q;;;;;+1;/p-1
InChIKeyCWHLLPDOUSLGGA-UHFFFAOYSA-M
XLogP1.90
TPSA342.10 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.11
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one with MolForge

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Related Compounds

lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate
CID 157274956
hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
CID 157494283
3-(bromomethyl)-7-ethyl-5H-quinolin-6-one;tert-butyl 4-[6-(ethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;N-ethyl-5-[4-[(7-ethyl-6-oxo-5H-quinolin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide;N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 157725322
Cyclohexylmethanamine;6-cyclohexyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;ethyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;hydrochloride
CID 157841578
Benzylhydrazine;6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate
CID 157949682
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylpyridine-4-carboxamide;methyl 6-[[N-(pyridine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate
CID 157959823
Acetohydrazide;5-methoxycarbonylpyridine-2-carboxylic acid;methyl 6-(acetamidocarbamoyl)pyridine-3-carboxylate;methyl 6-(hydrazinecarbonyl)pyridine-3-carboxylate;methyl 6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxylate
CID 158041497
methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;8-pyridin-2-yl-6H-pyrido[2,3-d]pyridazin-5-one
CID 158147845
lithium;diethyl pyridine-2,3-dicarboxylate;ethyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;ethyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;oxolane;2H-pyridin-2-ide
CID 158991256
N,N-diethyl-3-(pyridine-2-carbonyl)pyridine-2-carboxamide;N,N-diethylpyridine-2-carboxamide;hydrazine;pyridine-2-carboxylic acid;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
CID 159346576
5-O-tert-butyl 2-O-methyl pyridine-2,5-dicarboxylate;tert-butyl 6-(morpholine-4-carbonyl)pyridine-3-carboxylate;6-methoxycarbonylpyridine-3-carboxylic acid;morpholine;6-(morpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 159412526
tert-butyl 4-methoxy-1-methyl-4H-pyrido[3,2-c]pyridazine-3-carboxylate;tert-butyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate;bis(tert-butyl 1-methyl-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxylate);bis(N-[(4-fluorophenyl)methyl]-1-methyl-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide)
CID 159457626

Frequently Asked Questions

What is the IUPAC name of lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one (CID 158362034) is lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one is CCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1ccccn1.COC(=O)c1ncccc1C(=O)c1ccccn1.NN.O=C(c1ccccn1)c1cccnc1C(=O)[O-].O=c1[nH]nc(-c2ccccn2)c2cccnc12.[Li+].
What is the InChIKey of lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one?
The InChIKey is CWHLLPDOUSLGGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10N2O3.C12H8N4O.C12H8N2O3.2C10H14N2O.Li.H4N2/c1-18-13(17)11-9(5-4-8-15-11)12(16)10-6-2-3-7-14-10;17-12-11-8(4-3-7-14-11)10(15-16-12)9-5-1-2-6-13-9;15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17;2*1-3-12(4-2)10(13)9-7-5-6-8-11-9;;1-2/h2-8H,1H3;2*1-7H,(H,16,17);2*5-8H,3-4H2,1-2H3;;1-2H2/q;;;;;+1;/p-1.
What are the key properties of lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one?
lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one has a molecular weight of 1089.11 g/mol, XLogP of 1.90, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(N,N-diethylpyridine-2-carboxamide);hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 158362034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).