N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H17N3O3 — CID 103280731

IUPACN-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-11-5-4-10(7-11)8-17-14(20)12-9-16-13-3-1-2-6-18(13)15(12)21/h1-3,6,9-11,19H,4-5,7-8H2,(H,17,20)
InChIKeyGJOABLANRAGCHV-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.59
Rot. Bonds3

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

N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 103280731) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID103280731
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-11-5-4-10(7-11)8-17-14(20)12-9-16-13-3-1-2-6-18(13)15(12)21/h1-3,6,9-11,19H,4-5,7-8H2,(H,17,20)
InChIKeyGJOABLANRAGCHV-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43394646
N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519471
N-(2-cyclopropyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 63295300
N-[(1-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 64195858
N-[(2-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 65833603
N-[(3-hydroxycyclobutyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 66004533
N-(4-hydroxy-2-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 66109065
N-(2-ethyl-4-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 80304073
N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103751266
N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103770787
N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103862119
N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103919061

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 103280731) is N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC1CCC(O)C1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GJOABLANRAGCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-11-5-4-10(7-11)8-17-14(20)12-9-16-13-3-1-2-6-18(13)15(12)21/h1-3,6,9-11,19H,4-5,7-8H2,(H,17,20).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 103280731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).