2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide

C19H24N4O — CID 109305153

IUPAC2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C19H24N4O/c1-22(15-16-9-5-4-6-10-16)18(24)17-11-12-20-19(21-17)23-13-7-2-3-8-14-23/h4-6,9-12H,2-3,7-8,13-15H2,1H3
InChIKeyREVGMLAWPIXYQU-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.13
Rot. Bonds4

About 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide

2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide (PubChem CID 109305153) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
PubChem CID109305153
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C19H24N4O/c1-22(15-16-9-5-4-6-10-16)18(24)17-11-12-20-19(21-17)23-13-7-2-3-8-14-23/h4-6,9-12H,2-3,7-8,13-15H2,1H3
InChIKeyREVGMLAWPIXYQU-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109302421
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
2-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109309414
N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109170232
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
CID 71553275

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide (CID 109305153) is 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide?
The InChIKey is REVGMLAWPIXYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22(15-16-9-5-4-6-10-16)18(24)17-11-12-20-19(21-17)23-13-7-2-3-8-14-23/h4-6,9-12H,2-3,7-8,13-15H2,1H3.
What are the key properties of 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide?
2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109305153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).