N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O3 — CID 103919061

IUPACN-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCCCCO)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c19-10-6-2-1-4-8-16-14(20)12-11-17-13-7-3-5-9-18(13)15(12)21/h3,5,7,9,11,19H,1-2,4,6,8,10H2,(H,16,20)
InChIKeyOJOXHAAVXNAQMZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.98
Rot. Bonds7

About N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 103919061) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID103919061
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCCCCO)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c19-10-6-2-1-4-8-16-14(20)12-11-17-13-7-3-5-9-18(13)15(12)21/h3,5,7,9,11,19H,1-2,4,6,8,10H2,(H,16,20)
InChIKeyOJOXHAAVXNAQMZ-UHFFFAOYSA-N
XLogP0.98
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.98
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
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-hexyl-6-methyl-4-oxo-
CID 3079279
4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 24247319
N-[[(2R)-oxan-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 164640054
N-cyclohexyl-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681046
2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681039
3-[(2-Hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175899579
N-cyclohexyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977
N-(4-hydroxycyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43394646
N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43415582
N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43417621
N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 43417935

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 103919061) is N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCCCCCO)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OJOXHAAVXNAQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-10-6-2-1-4-8-16-14(20)12-11-17-13-7-3-5-9-18(13)15(12)21/h3,5,7,9,11,19H,1-2,4,6,8,10H2,(H,16,20).
What are the key properties of N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 103919061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).