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

C13H15N3O3 — CID 59242575

IUPACN-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-2-3-6-14-12(18)9-8-15-11-10(17)5-4-7-16(11)13(9)19/h4-5,7-8,17H,2-3,6H2,1H3,(H,14,18)
InChIKeyXQECQACZZMMICS-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.93
Rot. Bonds4

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

N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 59242575) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID59242575
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-2-3-6-14-12(18)9-8-15-11-10(17)5-4-7-16(11)13(9)19/h4-5,7-8,17H,2-3,6H2,1H3,(H,14,18)
InChIKeyXQECQACZZMMICS-UHFFFAOYSA-N
XLogP0.93
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 59242575) is N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCNC(=O)c1cnc2c(O)cccn2c1=O.
What is the InChIKey of N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XQECQACZZMMICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-3-6-14-12(18)9-8-15-11-10(17)5-4-7-16(11)13(9)19/h4-5,7-8,17H,2-3,6H2,1H3,(H,14,18).
What are the key properties of N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 59242575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).