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

C17H21N3O3 — CID 135853273

IUPAC2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NC3CCCCC3C)c(O)nc12
InChIInChI=1S/C17H21N3O3/c1-10-6-3-4-8-12(10)18-15(21)13-16(22)19-14-11(2)7-5-9-20(14)17(13)23/h5,7,9-10,12,22H,3-4,6,8H2,1-2H3,(H,18,21)
InChIKeyZFHFNTZNOGLWQN-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.02
Rot. Bonds2

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

2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135853273) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135853273
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NC3CCCCC3C)c(O)nc12
InChIInChI=1S/C17H21N3O3/c1-10-6-3-4-8-12(10)18-15(21)13-16(22)19-14-11(2)7-5-9-20(14)17(13)23/h5,7,9-10,12,22H,3-4,6,8H2,1-2H3,(H,18,21)
InChIKeyZFHFNTZNOGLWQN-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-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135853273) is 2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NC3CCCCC3C)c(O)nc12.
What is the InChIKey of 2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZFHFNTZNOGLWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-6-3-4-8-12(10)18-15(21)13-16(22)19-14-11(2)7-5-9-20(14)17(13)23/h5,7,9-10,12,22H,3-4,6,8H2,1-2H3,(H,18,21).
What are the key properties of 2-hydroxy-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-9-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-9-methyl-N-(2-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135853273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).