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

C44H48N12O6 — CID 159346576

IUPACN,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
SMILESCCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1ncccc1C(=O)c1ccccn1.NN.O=C(O)c1ccccn1.O=c1[nH]nc(-c2ccccn2)c2cccnc12
InChIInChI=1S/C16H17N3O2.C12H8N4O.C10H14N2O.C6H5NO2.H4N2/c1-3-19(4-2)16(21)14-12(8-7-11-18-14)15(20)13-9-5-6-10-17-13;17-12-11-8(4-3-7-14-11)10(15-16-12)9-5-1-2-6-13-9;1-3-12(4-2)10(13)9-7-5-6-8-11-9;8-6(9)5-3-1-2-4-7-5;1-2/h5-11H,3-4H2,1-2H3;1-7H,(H,16,17);5-8H,3-4H2,1-2H3;1-4H,(H,8,9);1-2H2
InChIKeyLGULPJQDDGPRNI-UHFFFAOYSA-N
MW840.95 g/mol
LogP4.73
Rot. Bonds10

About 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

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 (PubChem CID 159346576) has the molecular formula C44H48N12O6 and a molecular weight of 840.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID159346576
Molecular FormulaC44H48N12O6
Molecular Weight840.95 g/mol
Exact Mass840.38
IUPAC NameN,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
SMILESCCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1ncccc1C(=O)c1ccccn1.NN.O=C(O)c1ccccn1.O=c1[nH]nc(-c2ccccn2)c2cccnc12
InChIInChI=1S/C16H17N3O2.C12H8N4O.C10H14N2O.C6H5NO2.H4N2/c1-3-19(4-2)16(21)14-12(8-7-11-18-14)15(20)13-9-5-6-10-17-13;17-12-11-8(4-3-7-14-11)10(15-16-12)9-5-1-2-6-13-9;1-3-12(4-2)10(13)9-7-5-6-8-11-9;8-6(9)5-3-1-2-4-7-5;1-2/h5-11H,3-4H2,1-2H3;1-7H,(H,16,17);5-8H,3-4H2,1-2H3;1-4H,(H,8,9);1-2H2
InChIKeyLGULPJQDDGPRNI-UHFFFAOYSA-N
XLogP4.73
TPSA270.12 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.95
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

5-(3-ethylphenyl)-2-[4-[[4-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 176581916
6-[6-[2-[6-(6-Carboxy-2-pyridinyl)pyridazin-3-yl]-3-pyridinyl]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 68889296
6-[6-[[Bis[[6-(6-carboxy-2-pyridinyl)-3-pyridinyl]methyl]amino]methyl]-3-pyridinyl]pyridine-2-carboxylic acid
CID 146553795
lithium;bis(N,N-diethylpyridine-2-carboxamide);3-(pyridine-2-carbonyl)pyridine-2-carboxylate
CID 157274956
(R)-2-methyl-N-[1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropyl]propane-2-sulfinamide;5-methylpyridine-2-carboxylic acid;(5-methyl-2-pyridinyl)-piperidin-1-ylmethanone;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-amine;1-(5-methyl-2-pyridinyl)-3-piperidin-1-ylpropan-1-one
CID 157442062
acetohydrazide;(E)-but-2-enoic acid;3-cyclopentylpyridine;N,N-diethylacetamide;N,N-dimethylacetamide;methyl acetate;N-propan-2-ylidenehydroxylamine;heptakis(pyridine);pyridine-2-carbonitrile;pyridine-3-carbonitrile;pyridine-4-carbonitrile;pyridine-2-carboxamide;pyridine-3-carboxamide;pyridine-4-carboxamide;pyridine-2-carboxylic acid;pyridine-3-carboxylic acid;pyridine-4-carboxylic acid
CID 157451166
hydrazine;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;5-pyridin-2-yl-7H-pyrido[2,3-d]pyridazin-8-one
CID 157494283
4-cyclopentyloxypiperidine;4-[[2-(4-cyclopentyloxypiperidine-1-carbonyl)-4-pyridinyl]methyl]-2H-phthalazin-1-one;4-[(4-oxo-3H-phthalazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 157537678
N-(2-aminoethyl)-4-methylpyridine-2-carboxamide;N-(6-aminohexyl)-4-methylpyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-4-methylpyridine-2-carboxamide;N,4-dimethylpyridine-2-carboxamide;N-(2-methoxyethyl)-4-methylpyridine-2-carboxamide;4-methyl-N-[2-(methylamino)ethyl]pyridine-2-carboxamide;2-[(4-methylpyridine-2-carbonyl)amino]acetic acid;4-methylpyridine-2-carboxamide;4-methylpyridine-2-carboxylic acid
CID 157625500
N-ethyl-N,5-dimethylpyridine-2-carboxamide;3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propan-1-one;(R)-N-[3-[ethyl(methyl)amino]-1-(5-methyl-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide;N'-ethyl-N'-methyl-1-(5-methyl-2-pyridinyl)propane-1,3-diamine;5-methylpyridine-2-carboxylic acid
CID 157793491
Benzylhydrazine;6-benzyl-8-pyridin-2-ylpyrido[2,3-d]pyridazin-5-one;methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate
CID 157949682
bis(4-[5-(aminomethyl)-3-methyl-2-pyridinyl]-1H-pyridin-2-one);[6-(2-fluoro-4-pyridinyl)-5-methyl-3-pyridinyl]methanamine;N-[[5-methyl-6-(2-oxo-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
CID 158132823

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C(=O)c1ccccn1.CCN(CC)C(=O)c1ncccc1C(=O)c1ccccn1.NN.O=C(O)c1ccccn1.O=c1[nH]nc(-c2ccccn2)c2cccnc12.
What is the InChIKey of 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?
The InChIKey is LGULPJQDDGPRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.C12H8N4O.C10H14N2O.C6H5NO2.H4N2/c1-3-19(4-2)16(21)14-12(8-7-11-18-14)15(20)13-9-5-6-10-17-13;17-12-11-8(4-3-7-14-11)10(15-16-12)9-5-1-2-6-13-9;1-3-12(4-2)10(13)9-7-5-6-8-11-9;8-6(9)5-3-1-2-4-7-5;1-2/h5-11H,3-4H2,1-2H3;1-7H,(H,16,17);5-8H,3-4H2,1-2H3;1-4H,(H,8,9);1-2H2.
What are the key properties of 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?
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 has a molecular weight of 840.95 g/mol, XLogP of 4.73, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159346576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).