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

C17H21N3O3 — CID 135891700

IUPAC2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N[C@@H]3CCCC[C@H]3C)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)/t11-,12-/m1/s1
InChIKeyBJGGPNNGHSJMMY-VXGBXAGGSA-N
MW315.37 g/mol
LogP2.02
Rot. Bonds2

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

2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135891700) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135891700
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N[C@@H]3CCCC[C@H]3C)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)/t11-,12-/m1/s1
InChIKeyBJGGPNNGHSJMMY-VXGBXAGGSA-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

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

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Related Compounds

2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135891699
6-methyl-N-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 7030389
2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680993
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
2,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 3184547
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
CID 81109910
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 97001875
1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619418
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135891700) is 2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)N[C@@H]3CCCC[C@H]3C)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BJGGPNNGHSJMMY-VXGBXAGGSA-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)/t11-,12-/m1/s1.
What are the key properties of 2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-N-[(1R,2R)-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-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135891700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).