N-(1-cyanopropan-2-yl)quinoline-6-carboxamide

C14H13N3O — CID 55118524

IUPACN-(1-cyanopropan-2-yl)quinoline-6-carboxamide
SMILESCC(CC#N)NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H13N3O/c1-10(6-7-15)17-14(18)12-4-5-13-11(9-12)3-2-8-16-13/h2-5,8-10H,6H2,1H3,(H,17,18)
InChIKeyYUOSLRJAOMBSAH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.27
Rot. Bonds3

About N-(1-cyanopropan-2-yl)quinoline-6-carboxamide

N-(1-cyanopropan-2-yl)quinoline-6-carboxamide (PubChem CID 55118524) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)quinoline-6-carboxamide
PubChem CID55118524
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(1-cyanopropan-2-yl)quinoline-6-carboxamide
SMILESCC(CC#N)NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H13N3O/c1-10(6-7-15)17-14(18)12-4-5-13-11(9-12)3-2-8-16-13/h2-5,8-10H,6H2,1H3,(H,17,18)
InChIKeyYUOSLRJAOMBSAH-UHFFFAOYSA-N
XLogP2.27
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanopropan-2-yl)quinoline-6-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

N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
N-(1-cyanopropan-2-yl)-3,4-dihydroxybenzamide
CID 103956790
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)quinoline-6-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)quinoline-6-carboxamide (CID 55118524) is N-(1-cyanopropan-2-yl)quinoline-6-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)quinoline-6-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)quinoline-6-carboxamide is CC(CC#N)NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(1-cyanopropan-2-yl)quinoline-6-carboxamide?
The InChIKey is YUOSLRJAOMBSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10(6-7-15)17-14(18)12-4-5-13-11(9-12)3-2-8-16-13/h2-5,8-10H,6H2,1H3,(H,17,18).
What are the key properties of N-(1-cyanopropan-2-yl)quinoline-6-carboxamide?
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)quinoline-6-carboxamide is sourced from PubChem (CID 55118524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).