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

C14H17N3O3 — CID 107300133

IUPACN-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(O)CCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-10(18)5-4-7-15-13(19)11-9-16-12-6-2-3-8-17(12)14(11)20/h2-3,6,8-10,18H,4-5,7H2,1H3,(H,15,19)
InChIKeyLBOOJAFIKHEBIW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.59
Rot. Bonds5

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

N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 107300133) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID107300133
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(O)CCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-10(18)5-4-7-15-13(19)11-9-16-12-6-2-3-8-17(12)14(11)20/h2-3,6,8-10,18H,4-5,7H2,1H3,(H,15,19)
InChIKeyLBOOJAFIKHEBIW-UHFFFAOYSA-N
XLogP0.59
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.59
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

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-pentyl-
CID 3079277
4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 24247319
N-butyl-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681029
2-hydroxy-N-(3-isopropoxypropyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681037
2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681039
2-hydroxy-N-(2-hydroxypropyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681040
9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384929
N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121385060
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxypyrido[1,2-a]pyrimidin-4-one
CID 168723141
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 168723376
3-[(2-Hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175899579
3-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175900049

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 107300133) is N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(O)CCCNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LBOOJAFIKHEBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(18)5-4-7-15-13(19)11-9-16-12-6-2-3-8-17(12)14(11)20/h2-3,6,8-10,18H,4-5,7H2,1H3,(H,15,19).
What are the key properties of N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 107300133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).