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

C16H19N3O3 — CID 131929704

IUPACN-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCC1(NC(=O)c2cnc3ccccn3c2=O)CCCC1
InChIInChI=1S/C16H19N3O3/c1-22-11-16(7-3-4-8-16)18-14(20)12-10-17-13-6-2-5-9-19(13)15(12)21/h2,5-6,9-10H,3-4,7-8,11H2,1H3,(H,18,20)
InChIKeyYWNZLOAFQXFZGW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.38
Rot. Bonds4

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

N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 131929704) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID131929704
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCC1(NC(=O)c2cnc3ccccn3c2=O)CCCC1
InChIInChI=1S/C16H19N3O3/c1-22-11-16(7-3-4-8-16)18-14(20)12-10-17-13-6-2-5-9-19(13)15(12)21/h2,5-6,9-10H,3-4,7-8,11H2,1H3,(H,18,20)
InChIKeyYWNZLOAFQXFZGW-UHFFFAOYSA-N
XLogP1.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
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-[1-(hydroxymethyl)cyclopentyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109878928
N-[1-(hydroxymethyl)cyclopentyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110008369
N-[1-(hydroxymethyl)cyclopentyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110008649
N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111425907
N-(2-cyclopentyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111426103
N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662314
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 112286069
6-methyl-N-1-oxaspiro[4.5]dec-3-yl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 118775695
6-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126436235
6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126436236
N-[(1-methoxycyclohexyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 167799695

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 131929704) is N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COCC1(NC(=O)c2cnc3ccccn3c2=O)CCCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YWNZLOAFQXFZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-11-16(7-3-4-8-16)18-14(20)12-10-17-13-6-2-5-9-19(13)15(12)21/h2,5-6,9-10H,3-4,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131929704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).