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

C15H17N3O3 — CID 103751266

IUPACN-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-9-10-4-3-5-12(10)17-14(20)11-8-16-13-6-1-2-7-18(13)15(11)21/h1-2,6-8,10,12,19H,3-5,9H2,(H,17,20)
InChIKeyGYGSWBDKGIJUOS-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.59
Rot. Bonds3

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

N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 103751266) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID103751266
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1CO)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H17N3O3/c19-9-10-4-3-5-12(10)17-14(20)11-8-16-13-6-1-2-7-18(13)15(11)21/h1-2,6-8,10,12,19H,3-5,9H2,(H,17,20)
InChIKeyGYGSWBDKGIJUOS-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-(2-methylcyclopentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 19789644
N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43394646
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 61245333
N-(2-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62365626
N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519471
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
2-[[(2-Hydroxycyclopentyl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 65836188
N-(5-hydroxypentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 80295701
N-(2-ethyl-4-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 80304073
N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103280731
N-(1-hydroxy-4-methylpentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103750798

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 103751266) is N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCCC1CO)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GYGSWBDKGIJUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-9-10-4-3-5-12(10)17-14(20)11-8-16-13-6-1-2-7-18(13)15(11)21/h1-2,6-8,10,12,19H,3-5,9H2,(H,17,20).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-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-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 103751266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).