N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H21N3O2 — CID 42949413

IUPACN-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H21N3O2/c1-19(12-13-7-3-2-4-8-13)16(21)14-11-18-15-9-5-6-10-20(15)17(14)22/h5-6,9-11,13H,2-4,7-8,12H2,1H3
InChIKeyBPZAPVYBMQOHIG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.35
Rot. Bonds3

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

N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 42949413) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID42949413
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H21N3O2/c1-19(12-13-7-3-2-4-8-13)16(21)14-11-18-15-9-5-6-10-20(15)17(14)22/h5-6,9-11,13H,2-4,7-8,12H2,1H3
InChIKeyBPZAPVYBMQOHIG-UHFFFAOYSA-N
XLogP2.35
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 42949413) is N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CN(CC1CCCCC1)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BPZAPVYBMQOHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19(12-13-7-3-2-4-8-13)16(21)14-11-18-15-9-5-6-10-20(15)17(14)22/h5-6,9-11,13H,2-4,7-8,12H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42949413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).