4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide

C17H17N5O — CID 71060941

IUPAC4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C17H17N5O/c1-10(2)20-15-13-9-12(11-5-7-19-8-6-11)3-4-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21)
InChIKeyCBUYLKNNQWQNOK-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.61
Rot. Bonds4

About 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide

4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide (PubChem CID 71060941) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide
PubChem CID71060941
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C17H17N5O/c1-10(2)20-15-13-9-12(11-5-7-19-8-6-11)3-4-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21)
InChIKeyCBUYLKNNQWQNOK-UHFFFAOYSA-N
XLogP2.61
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Galunisertib
CID 10090485
Dihydropyrrolopyrazole, 9
CID 10203646
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
N-cyclopropyl-3-[3-[5-oxo-4-(quinolin-4-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492946
4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)cinnoline-3-carboxamide
CID 71061025
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259
2-((Pyridin-4-ylmethyl)amino)-N-(quinolin-3-yl)benzamide
CID 23644840
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide (CID 71060941) is 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide is CC(C)Nc1c(C(N)=O)nnc2ccc(-c3ccncc3)cc12.
What is the InChIKey of 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide?
The InChIKey is CBUYLKNNQWQNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10(2)20-15-13-9-12(11-5-7-19-8-6-11)3-4-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21).
What are the key properties of 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide?
4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-6-pyridin-4-ylcinnoline-3-carboxamide is sourced from PubChem (CID 71060941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).