N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H17N3O3 — CID 62519471

IUPACN-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-10-15(6-2-3-7-15)17-13(20)11-9-16-12-5-1-4-8-18(12)14(11)21/h1,4-5,8-9,19H,2-3,6-7,10H2,(H,17,20)
InChIKeyOKJHKLRFLQALRD-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.73
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 62519471) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID62519471
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-10-15(6-2-3-7-15)17-13(20)11-9-16-12-5-1-4-8-18(12)14(11)21/h1,4-5,8-9,19H,2-3,6-7,10H2,(H,17,20)
InChIKeyOKJHKLRFLQALRD-UHFFFAOYSA-N
XLogP0.73
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 62519471) is N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1(CO)CCCC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OKJHKLRFLQALRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-15(6-2-3-7-15)17-13(20)11-9-16-12-5-1-4-8-18(12)14(11)21/h1,4-5,8-9,19H,2-3,6-7,10H2,(H,17,20).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 62519471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).