N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C21H21N3O — CID 51268285

IUPACN-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CCCC1
InChIInChI=1S/C21H21N3O/c1-24(16-6-2-3-7-16)21(25)18-14-20(15-10-12-22-13-11-15)23-19-9-5-4-8-17(18)19/h4-5,8-14,16H,2-3,6-7H2,1H3
InChIKeyDUMGGLPUWDBWAN-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.31
Rot. Bonds3

About N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 51268285) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID51268285
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CCCC1
InChIInChI=1S/C21H21N3O/c1-24(16-6-2-3-7-16)21(25)18-14-20(15-10-12-22-13-11-15)23-19-9-5-4-8-17(18)19/h4-5,8-14,16H,2-3,6-7H2,1H3
InChIKeyDUMGGLPUWDBWAN-UHFFFAOYSA-N
XLogP4.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
CID 115649170
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 51922635
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866894
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 92606138
2-amino-N-cyclopropyl-N-methylquinoline-4-carboxamide
CID 62156130
2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 119551826
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72923146
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011
2-(furan-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 2390768
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72939169

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 51268285) is N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide is CN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is DUMGGLPUWDBWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-24(16-6-2-3-7-16)21(25)18-14-20(15-10-12-22-13-11-15)23-19-9-5-4-8-17(18)19/h4-5,8-14,16H,2-3,6-7H2,1H3.
What are the key properties of N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 51268285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).