N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H21N3O3 — CID 111662314

IUPACN-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H21N3O3/c1-2-5-12(7-9-20)10-18-15(21)13-11-17-14-6-3-4-8-19(14)16(13)22/h3-4,6,8,11-12,20H,2,5,7,9-10H2,1H3,(H,18,21)
InChIKeyONJLPARUMJVBGR-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.22
Rot. Bonds7

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

N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111662314) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111662314
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H21N3O3/c1-2-5-12(7-9-20)10-18-15(21)13-11-17-14-6-3-4-8-19(14)16(13)22/h3-4,6,8,11-12,20H,2,5,7,9-10H2,1H3,(H,18,21)
InChIKeyONJLPARUMJVBGR-UHFFFAOYSA-N
XLogP1.22
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42889452
N-(5-methylhexan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42936055
N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43394646
N-(2-ethylhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335133
3-[4-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 60957389
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 61245333
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-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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 79252263

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111662314) is N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCC(CCO)CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ONJLPARUMJVBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-5-12(7-9-20)10-18-15(21)13-11-17-14-6-3-4-8-19(14)16(13)22/h3-4,6,8,11-12,20H,2,5,7,9-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111662314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).