N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H24N4O2 — CID 20886611

IUPACN-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCN3CCCCCC3)cnc12
InChIInChI=1S/C18H24N4O2/c1-14-7-6-11-22-16(14)20-13-15(18(22)24)17(23)19-8-12-21-9-4-2-3-5-10-21/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,19,23)
InChIKeyZVRQMDWGYJJRGI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.61
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20886611) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20886611
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCCN3CCCCCC3)cnc12
InChIInChI=1S/C18H24N4O2/c1-14-7-6-11-22-16(14)20-13-15(18(22)24)17(23)19-8-12-21-9-4-2-3-5-10-21/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,19,23)
InChIKeyZVRQMDWGYJJRGI-UHFFFAOYSA-N
XLogP1.61
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364468
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 162763930
9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46976398
9-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 53013788
7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 5018339
(3S)-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 7306960
N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136520292
7-(1,3-benzodioxol-5-ylmethyl)-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3553269
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide
CID 42880898

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20886611) is N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCCN3CCCCCC3)cnc12.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZVRQMDWGYJJRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-7-6-11-22-16(14)20-13-15(18(22)24)17(23)19-8-12-21-9-4-2-3-5-10-21/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,19,23).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20886611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).