N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide

C21H21N3O — CID 757634

IUPACN-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H21N3O/c25-21(23-15-8-2-1-3-9-15)17-14-20(19-12-6-7-13-22-19)24-18-11-5-4-10-16(17)18/h4-7,10-15H,1-3,8-9H2,(H,23,25)
InChIKeyGQRGCYKCDMQXEZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.36
Rot. Bonds3

About N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide

N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 757634) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID757634
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H21N3O/c25-21(23-15-8-2-1-3-9-15)17-14-20(19-12-6-7-13-22-19)24-18-11-5-4-10-16(17)18/h4-7,10-15H,1-3,8-9H2,(H,23,25)
InChIKeyGQRGCYKCDMQXEZ-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-pyridin-2-ylquinoline-4-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-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 166250629
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
1-cyclohexyl-3-[(2-phenylquinoline-4-carbonyl)amino]urea
CID 3285527
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 4287408
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide
CID 45052924

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 757634) is N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NC1CCCCC1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is GQRGCYKCDMQXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(23-15-8-2-1-3-9-15)17-14-20(19-12-6-7-13-22-19)24-18-11-5-4-10-16(17)18/h4-7,10-15H,1-3,8-9H2,(H,23,25).
What are the key properties of N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide?
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 757634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).