2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide

C19H24N4O — CID 109264971

IUPAC2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCCCCC2)nc1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-2-23(17-10-6-5-7-11-17)18(24)16-14-20-19(21-15-16)22-12-8-3-4-9-13-22/h5-7,10-11,14-15H,2-4,8-9,12-13H2,1H3
InChIKeyDZFZAXUJDTUFJH-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.52
Rot. Bonds4

About 2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide

2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 109264971) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
PubChem CID109264971
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCCCCC2)nc1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-2-23(17-10-6-5-7-11-17)18(24)16-14-20-19(21-15-16)22-12-8-3-4-9-13-22/h5-7,10-11,14-15H,2-4,8-9,12-13H2,1H3
InChIKeyDZFZAXUJDTUFJH-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-formylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109254527
2-(azepan-1-yl)-N-benzyl-N-phenylpyrimidine-5-carboxamide
CID 109265025
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109259769
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109289326
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109261095
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 109250908

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide (CID 109264971) is 2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(N2CCCCCC2)nc1)c1ccccc1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is DZFZAXUJDTUFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-23(17-10-6-5-7-11-17)18(24)16-14-20-19(21-15-16)22-12-8-3-4-9-13-22/h5-7,10-11,14-15H,2-4,8-9,12-13H2,1H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide?
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.52, 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-ethyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109264971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).