3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide

C18H23N3O2 — CID 7217026

IUPAC3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-13-17(18(23)21-12-6-5-9-15(21)19-13)20-16(22)11-10-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,20,22)
InChIKeyINTURMSIWRHRNS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.30
Rot. Bonds4

About 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide

3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (PubChem CID 7217026) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
PubChem CID7217026
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-13-17(18(23)21-12-6-5-9-15(21)19-13)20-16(22)11-10-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,20,22)
InChIKeyINTURMSIWRHRNS-UHFFFAOYSA-N
XLogP3.30
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (CID 7217026) is 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is Cc1nc2ccccn2c(=O)c1NC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The InChIKey is INTURMSIWRHRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-17(18(23)21-12-6-5-9-15(21)19-13)20-16(22)11-10-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,20,22).
What are the key properties of 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 7217026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).