2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H27N3O3 — CID 136790861

IUPAC2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCCCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O
InChIInChI=1S/C19H27N3O3/c1-3-4-5-6-7-8-9-11-20-17(23)16-18(24)21-15-13-14(2)10-12-22(15)19(16)25/h10,12-13,24H,3-9,11H2,1-2H3,(H,20,23)
InChIKeyOGIAEYBYXJPUDG-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.19
Rot. Bonds9

About 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 136790861) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID136790861
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCCCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O
InChIInChI=1S/C19H27N3O3/c1-3-4-5-6-7-8-9-11-20-17(23)16-18(24)21-15-13-14(2)10-12-22(15)19(16)25/h10,12-13,24H,3-9,11H2,1-2H3,(H,20,23)
InChIKeyOGIAEYBYXJPUDG-UHFFFAOYSA-N
XLogP3.19
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.19
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

2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680993
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790854
2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135891700
2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135891699
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681057
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
N-hexyl-2,4,6-trihydroxybenzamide
CID 14837586
N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide
CID 71856322
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458493
N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119505266
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 136790861) is 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCCCCCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O.
What is the InChIKey of 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OGIAEYBYXJPUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-4-5-6-7-8-9-11-20-17(23)16-18(24)21-15-13-14(2)10-12-22(15)19(16)25/h10,12-13,24H,3-9,11H2,1-2H3,(H,20,23).
What are the key properties of 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136790861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).