N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide

C17H19N3O — CID 122261740

IUPACN-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)C1CCCC1
InChIInChI=1S/C17H19N3O/c21-17(14-8-4-5-9-14)18-11-15-10-16(20-12-19-15)13-6-2-1-3-7-13/h1-3,6-7,10,12,14H,4-5,8-9,11H2,(H,18,21)
InChIKeyRRUKLSMYDPOPET-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.95
Rot. Bonds4

About N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide

N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide (PubChem CID 122261740) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
PubChem CID122261740
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)C1CCCC1
InChIInChI=1S/C17H19N3O/c21-17(14-8-4-5-9-14)18-11-15-10-16(20-12-19-15)13-6-2-1-3-7-13/h1-3,6-7,10,12,14H,4-5,8-9,11H2,(H,18,21)
InChIKeyRRUKLSMYDPOPET-UHFFFAOYSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide 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

1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide
CID 122261947
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]cyclohexanecarboxamide
CID 122262450
1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide
CID 122262943
N-[(6-methylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122263469
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
1-(3-methoxyphenyl)-5-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxamide
CID 122261972
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
CID 122261913
3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935
1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 90518968
N-benzylcyclopentanecarboxamide
CID 835634
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014

Frequently Asked Questions

What is the IUPAC name of N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide (CID 122261740) is N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide is O=C(NCc1cc(-c2ccccc2)ncn1)C1CCCC1.
What is the InChIKey of N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide?
The InChIKey is RRUKLSMYDPOPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(14-8-4-5-9-14)18-11-15-10-16(20-12-19-15)13-6-2-1-3-7-13/h1-3,6-7,10,12,14H,4-5,8-9,11H2,(H,18,21).
What are the key properties of N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide?
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 122261740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).