2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H22N4O2 — CID 163750040

IUPAC2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(N)=O)c(NCC3CCCCC3)nc12
InChIInChI=1S/C17H22N4O2/c1-11-6-5-9-21-16(11)20-15(13(14(18)22)17(21)23)19-10-12-7-3-2-4-8-12/h5-6,9,12,19H,2-4,7-8,10H2,1H3,(H2,18,22)
InChIKeyLPFDTUIVXPLONY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.09
Rot. Bonds4

About 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 163750040) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID163750040
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(N)=O)c(NCC3CCCCC3)nc12
InChIInChI=1S/C17H22N4O2/c1-11-6-5-9-21-16(11)20-15(13(14(18)22)17(21)23)19-10-12-7-3-2-4-8-12/h5-6,9,12,19H,2-4,7-8,10H2,1H3,(H2,18,22)
InChIKeyLPFDTUIVXPLONY-UHFFFAOYSA-N
XLogP2.09
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide 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 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 163750040) is 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(N)=O)c(NCC3CCCCC3)nc12.
What is the InChIKey of 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LPFDTUIVXPLONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-6-5-9-21-16(11)20-15(13(14(18)22)17(21)23)19-10-12-7-3-2-4-8-12/h5-6,9,12,19H,2-4,7-8,10H2,1H3,(H2,18,22).
What are the key properties of 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163750040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).