N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O3 — CID 121385060

IUPACN-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCNC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-2-3-4-5-8-16-14(20)11-10-17-13-12(19)7-6-9-18(13)15(11)21/h6-7,9-10,19H,2-5,8H2,1H3,(H,16,20)
InChIKeyMEXIFKRDSLZIJV-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.71
Rot. Bonds6

About N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 121385060) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID121385060
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCNC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-2-3-4-5-8-16-14(20)11-10-17-13-12(19)7-6-9-18(13)15(11)21/h6-7,9-10,19H,2-5,8H2,1H3,(H,16,20)
InChIKeyMEXIFKRDSLZIJV-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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

N-cyclohexyl-2-hydroxy-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680959
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-9-methyl-4-oxo-
CID 3079303
2-hydroxy-9-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458476
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
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-heptyl-6-methyl-4-oxo-
CID 3079280
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-octyl-4-oxo-
CID 3079281
4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 24247319
2-hydroxy-N-[3-(2-methylpiperidin-1-yl)propyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681071
N-cyclopentyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681045
2-hydroxy-4-oxo-N-propyl-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681028
N-allyl-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681033

Frequently Asked Questions

What is the IUPAC name of N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 121385060) is N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCCCNC(=O)c1cnc2c(O)cccn2c1=O.
What is the InChIKey of N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MEXIFKRDSLZIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-3-4-5-8-16-14(20)11-10-17-13-12(19)7-6-9-18(13)15(11)21/h6-7,9-10,19H,2-5,8H2,1H3,(H,16,20).
What are the key properties of N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121385060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).