N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H19N3O3 — CID 110008369

IUPACN-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3(CO)CCCC3)c(=O)n2c1
InChIInChI=1S/C16H19N3O3/c1-11-4-5-13-17-8-12(15(22)19(13)9-11)14(21)18-16(10-20)6-2-3-7-16/h4-5,8-9,20H,2-3,6-7,10H2,1H3,(H,18,21)
InChIKeyYZYAIPCUJDXDFK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.04
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 110008369) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID110008369
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3(CO)CCCC3)c(=O)n2c1
InChIInChI=1S/C16H19N3O3/c1-11-4-5-13-17-8-12(15(22)19(13)9-11)14(21)18-16(10-20)6-2-3-7-16/h4-5,8-9,20H,2-3,6-7,10H2,1H3,(H,18,21)
InChIKeyYZYAIPCUJDXDFK-UHFFFAOYSA-N
XLogP1.04
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519471
N-[3-(hydroxymethyl)pentan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519774
N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103751266
N-(1-cyclohexyl-3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109617460
N-(1-hydroxy-4-methylpentan-2-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109627020
N-[2-(hydroxymethyl)cyclohexyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109870193
N-[1-(hydroxymethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109878928
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109944285
N-(1-hydroxy-3-methylpentan-3-yl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110002665
N-[1-(hydroxymethyl)cyclopentyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110008649
N-(3-ethyl-2-hydroxypentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111115865
N-(3-ethyl-2-hydroxypentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111115914

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 110008369) is N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NC3(CO)CCCC3)c(=O)n2c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YZYAIPCUJDXDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-4-5-13-17-8-12(15(22)19(13)9-11)14(21)18-16(10-20)6-2-3-7-16/h4-5,8-9,20H,2-3,6-7,10H2,1H3,(H,18,21).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.04, 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]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110008369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).