N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H17N3O3 — CID 135681046

IUPACN-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-13(16-10-6-2-1-3-7-10)12-14(20)17-11-8-4-5-9-18(11)15(12)21/h4-5,8-10,20H,1-3,6-7H2,(H,16,19)
InChIKeyLEAZVAVJRRFJOA-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.46
Rot. Bonds2

About N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681046) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681046
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-13(16-10-6-2-1-3-7-10)12-14(20)17-11-8-4-5-9-18(11)15(12)21/h4-5,8-10,20H,1-3,6-7H2,(H,16,19)
InChIKeyLEAZVAVJRRFJOA-UHFFFAOYSA-N
XLogP1.46
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681046) is N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCCCC1)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LEAZVAVJRRFJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13(16-10-6-2-1-3-7-10)12-14(20)17-11-8-4-5-9-18(11)15(12)21/h4-5,8-10,20H,1-3,6-7H2,(H,16,19).
What are the key properties of N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).