2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide

C19H24N4O — CID 109256389

IUPAC2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(N2CCCCCC2)nc1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(16-9-5-4-6-10-16)22-18(24)17-13-20-19(21-14-17)23-11-7-2-3-8-12-23/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,22,24)
InChIKeyPMKYFKMNWYHGIG-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.35
Rot. Bonds4

About 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide

2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109256389) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109256389
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(N2CCCCCC2)nc1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(16-9-5-4-6-10-16)22-18(24)17-13-20-19(21-14-17)23-11-7-2-3-8-12-23/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,22,24)
InChIKeyPMKYFKMNWYHGIG-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108802
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
N-(1-phenylethyl)-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146134
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109156245
N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109246934
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842432
N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250248
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide (CID 109256389) is 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide is CC(NC(=O)c1cnc(N2CCCCCC2)nc1)c1ccccc1.
What is the InChIKey of 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is PMKYFKMNWYHGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15(16-9-5-4-6-10-16)22-18(24)17-13-20-19(21-14-17)23-11-7-2-3-8-12-23/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,22,24).
What are the key properties of 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).