2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C19H25N3O3 — CID 135891699

IUPAC2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c(O)nc2c1
InChIInChI=1S/C19H25N3O3/c1-11-5-6-22-14(8-11)21-17(24)15(18(22)25)16(23)20-13-7-12(2)9-19(3,4)10-13/h5-6,8,12-13,24H,7,9-10H2,1-4H3,(H,20,23)/t12-,13-/m0/s1
InChIKeyOEXDHSXGVISBJO-STQMWFEESA-N
MW343.43 g/mol
LogP2.65
Rot. Bonds2

About 2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135891699) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135891699
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c(O)nc2c1
InChIInChI=1S/C19H25N3O3/c1-11-5-6-22-14(8-11)21-17(24)15(18(22)25)16(23)20-13-7-12(2)9-19(3,4)10-13/h5-6,8,12-13,24H,7,9-10H2,1-4H3,(H,20,23)/t12-,13-/m0/s1
InChIKeyOEXDHSXGVISBJO-STQMWFEESA-N
XLogP2.65
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-oxo-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 136696100
2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135891700
N-(cyclohexylmethyl)-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790855
2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790861
N-[(4-chlorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681007
2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680993
1-methyl-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 7619405
2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681014
1-(2,5-dimethylphenyl)-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]thiourea
CID 6924822
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 1206106

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135891699) is 2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OEXDHSXGVISBJO-STQMWFEESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11-5-6-22-14(8-11)21-17(24)15(18(22)25)16(23)20-13-7-12(2)9-19(3,4)10-13/h5-6,8,12-13,24H,7,9-10H2,1-4H3,(H,20,23)/t12-,13-/m0/s1.
What are the key properties of 2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.65, 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-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135891699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).