N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O3 — CID 103862119

IUPACN-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(CO)CCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-11(10-19)5-4-7-16-14(20)12-9-17-13-6-2-3-8-18(13)15(12)21/h2-3,6,8-9,11,19H,4-5,7,10H2,1H3,(H,16,20)
InChIKeySPEJPYVFWDWDKE-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.83
Rot. Bonds6

About N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 103862119) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID103862119
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(CO)CCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-11(10-19)5-4-7-16-14(20)12-9-17-13-6-2-3-8-18(13)15(12)21/h2-3,6,8-9,11,19H,4-5,7,10H2,1H3,(H,16,20)
InChIKeySPEJPYVFWDWDKE-UHFFFAOYSA-N
XLogP0.83
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 24247319
2-hydroxy-N-(3-methylbutyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681034
2-[[1-Fluoro-3-(hydroxymethyl)cyclobutyl]methylamino]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 167939027
3-[3-[(Dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 168453126
N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614765
N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43417621
3-[3-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 43422160
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-cyclopropyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 63295300
N-(3-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 64458520

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 103862119) is N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(CO)CCCNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SPEJPYVFWDWDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(10-19)5-4-7-16-14(20)12-9-17-13-6-2-3-8-18(13)15(12)21/h2-3,6,8-9,11,19H,4-5,7,10H2,1H3,(H,16,20).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 103862119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).