6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide

C20H22N6O2 — CID 166363737

IUPAC6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide
SMILESO=C(NC1CCCNC1)c1ccc(NCc2cc3ccccc3[nH]c2=O)nn1
InChIInChI=1S/C20H22N6O2/c27-19-14(10-13-4-1-2-6-16(13)24-19)11-22-18-8-7-17(25-26-18)20(28)23-15-5-3-9-21-12-15/h1-2,4,6-8,10,15,21H,3,5,9,11-12H2,(H,22,26)(H,23,28)(H,24,27)
InChIKeyOKRVLLMUIXDSLC-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.41
Rot. Bonds5

About 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide

6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide (PubChem CID 166363737) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide
PubChem CID166363737
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide
SMILESO=C(NC1CCCNC1)c1ccc(NCc2cc3ccccc3[nH]c2=O)nn1
InChIInChI=1S/C20H22N6O2/c27-19-14(10-13-4-1-2-6-16(13)24-19)11-22-18-8-7-17(25-26-18)20(28)23-15-5-3-9-21-12-15/h1-2,4,6-8,10,15,21H,3,5,9,11-12H2,(H,22,26)(H,23,28)(H,24,27)
InChIKeyOKRVLLMUIXDSLC-UHFFFAOYSA-N
XLogP1.41
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
CID 11011060
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
N-piperidin-3-ylbenzamide
CID 22017045
N-[(3R)-piperidin-3-yl]quinoxaline-2-carboxamide
CID 105061101
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
2-naphthalen-1-yl-N-piperidin-3-ylacetamide;hydrochloride
CID 119427587
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
CID 103934132
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109112291
6-(azepan-4-ylamino)-N-ethylpyridazine-3-carboxamide
CID 107173544
6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110662606

Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide (CID 166363737) is 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide is O=C(NC1CCCNC1)c1ccc(NCc2cc3ccccc3[nH]c2=O)nn1.
What is the InChIKey of 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide?
The InChIKey is OKRVLLMUIXDSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-19-14(10-13-4-1-2-6-16(13)24-19)11-22-18-8-7-17(25-26-18)20(28)23-15-5-3-9-21-12-15/h1-2,4,6-8,10,15,21H,3,5,9,11-12H2,(H,22,26)(H,23,28)(H,24,27).
What are the key properties of 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide?
6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxo-1H-quinolin-3-yl)methylamino]-N-piperidin-3-ylpyridazine-3-carboxamide is sourced from PubChem (CID 166363737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).