N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide

C19H22N2O — CID 110360406

IUPACN-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
SMILESCc1ccc(N(Cc2cccnc2)C(=O)C2CCCC2)cc1
InChIInChI=1S/C19H22N2O/c1-15-8-10-18(11-9-15)21(14-16-5-4-12-20-13-16)19(22)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3
InChIKeyGLNABWJMYYHZDH-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.11
Rot. Bonds4

About N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide

N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide (PubChem CID 110360406) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
PubChem CID110360406
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
SMILESCc1ccc(N(Cc2cccnc2)C(=O)C2CCCC2)cc1
InChIInChI=1S/C19H22N2O/c1-15-8-10-18(11-9-15)21(14-16-5-4-12-20-13-16)19(22)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3
InChIKeyGLNABWJMYYHZDH-UHFFFAOYSA-N
XLogP4.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046086
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 43968066
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 43966915
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43965989
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 43967915
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43966229
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110361011
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110618743

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide (CID 110360406) is N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide is Cc1ccc(N(Cc2cccnc2)C(=O)C2CCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
The InChIKey is GLNABWJMYYHZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-8-10-18(11-9-15)21(14-16-5-4-12-20-13-16)19(22)17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide?
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide has a molecular weight of 294.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 110360406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).