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

C17H21N3O2 — CID 126668559

IUPAC6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CCC(C)CC3)c(=O)n12
InChIInChI=1S/C17H21N3O2/c1-11-6-8-13(9-7-11)19-16(21)14-10-18-15-5-3-4-12(2)20(15)17(14)22/h3-5,10-11,13H,6-9H2,1-2H3,(H,19,21)
InChIKeyVPPYYRDLHWAENZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.31
Rot. Bonds2

About 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 126668559) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID126668559
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC3CCC(C)CC3)c(=O)n12
InChIInChI=1S/C17H21N3O2/c1-11-6-8-13(9-7-11)19-16(21)14-10-18-15-5-3-4-12(2)20(15)17(14)22/h3-5,10-11,13H,6-9H2,1-2H3,(H,19,21)
InChIKeyVPPYYRDLHWAENZ-UHFFFAOYSA-N
XLogP2.31
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 126668559) is 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)NC3CCC(C)CC3)c(=O)n12.
What is the InChIKey of 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VPPYYRDLHWAENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-6-8-13(9-7-11)19-16(21)14-10-18-15-5-3-4-12(2)20(15)17(14)22/h3-5,10-11,13H,6-9H2,1-2H3,(H,19,21).
What are the key properties of 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126668559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).