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

C14H15N3O3 — CID 135681045

IUPACN-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C14H15N3O3/c18-12(15-9-5-1-2-6-9)11-13(19)16-10-7-3-4-8-17(10)14(11)20/h3-4,7-9,19H,1-2,5-6H2,(H,15,18)
InChIKeyNEFZMGIBRCACKX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.07
Rot. Bonds2

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

N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681045) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681045
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C14H15N3O3/c18-12(15-9-5-1-2-6-9)11-13(19)16-10-7-3-4-8-17(10)14(11)20/h3-4,7-9,19H,1-2,5-6H2,(H,15,18)
InChIKeyNEFZMGIBRCACKX-UHFFFAOYSA-N
XLogP1.07
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681045) is N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCCC1)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NEFZMGIBRCACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12(15-9-5-1-2-6-9)11-13(19)16-10-7-3-4-8-17(10)14(11)20/h3-4,7-9,19H,1-2,5-6H2,(H,15,18).
What are the key properties of N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).