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

C18H23N3O3 — CID 135853283

IUPAC2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CC(NC(=O)c2c(O)nc3ccccn3c2=O)CC(C)(C)C1
InChIInChI=1S/C18H23N3O3/c1-11-8-12(10-18(2,3)9-11)19-15(22)14-16(23)20-13-6-4-5-7-21(13)17(14)24/h4-7,11-12,23H,8-10H2,1-3H3,(H,19,22)
InChIKeyDPUMGWVOKVKKIW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.34
Rot. Bonds2

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

2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135853283) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135853283
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CC(NC(=O)c2c(O)nc3ccccn3c2=O)CC(C)(C)C1
InChIInChI=1S/C18H23N3O3/c1-11-8-12(10-18(2,3)9-11)19-15(22)14-16(23)20-13-6-4-5-7-21(13)17(14)24/h4-7,11-12,23H,8-10H2,1-3H3,(H,19,22)
InChIKeyDPUMGWVOKVKKIW-UHFFFAOYSA-N
XLogP2.34
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135853283) is 2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide is CC1CC(NC(=O)c2c(O)nc3ccccn3c2=O)CC(C)(C)C1.
What is the InChIKey of 2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DPUMGWVOKVKKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-8-12(10-18(2,3)9-11)19-15(22)14-16(23)20-13-6-4-5-7-21(13)17(14)24/h4-7,11-12,23H,8-10H2,1-3H3,(H,19,22).
What are the key properties of 2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxo-N-(3,3,5-trimethylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135853283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).