2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H21N3O3 — CID 135853278

IUPAC2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC3CCCCC3C)c(O)nc2c1
InChIInChI=1S/C17H21N3O3/c1-10-7-8-20-13(9-10)19-16(22)14(17(20)23)15(21)18-12-6-4-3-5-11(12)2/h7-9,11-12,22H,3-6H2,1-2H3,(H,18,21)
InChIKeyBJGGPNNGHSJMMY-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.02
Rot. Bonds2

About 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135853278) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135853278
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC3CCCCC3C)c(O)nc2c1
InChIInChI=1S/C17H21N3O3/c1-10-7-8-20-13(9-10)19-16(22)14(17(20)23)15(21)18-12-6-4-3-5-11(12)2/h7-9,11-12,22H,3-6H2,1-2H3,(H,18,21)
InChIKeyBJGGPNNGHSJMMY-UHFFFAOYSA-N
XLogP2.02
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135853278) is 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NC3CCCCC3C)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BJGGPNNGHSJMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-7-8-20-13(9-10)19-16(22)14(17(20)23)15(21)18-12-6-4-3-5-11(12)2/h7-9,11-12,22H,3-6H2,1-2H3,(H,18,21).
What are the key properties of 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135853278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).