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

C14H17N3O3 — CID 135680985

IUPACN-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-3-4-6-15-12(18)11-13(19)16-10-8-9(2)5-7-17(10)14(11)20/h5,7-8,19H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyKJSDPJRUASPIAP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.24
Rot. Bonds4

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

N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680985) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680985
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-3-4-6-15-12(18)11-13(19)16-10-8-9(2)5-7-17(10)14(11)20/h5,7-8,19H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyKJSDPJRUASPIAP-UHFFFAOYSA-N
XLogP1.24
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.24
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-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680985) is N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O.
What is the InChIKey of N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KJSDPJRUASPIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-4-6-15-12(18)11-13(19)16-10-8-9(2)5-7-17(10)14(11)20/h5,7-8,19H,3-4,6H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).