4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C15H19N3O3 — CID 51075838

IUPAC4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-11(2)21-9-5-7-16-14(19)12-10-17-13-6-3-4-8-18(13)15(12)20/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,16,19)
InChIKeyOXPDWTWSYYRDQK-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.24
Rot. Bonds6

About 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51075838) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51075838
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H19N3O3/c1-11(2)21-9-5-7-16-14(19)12-10-17-13-6-3-4-8-18(13)15(12)20/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,16,19)
InChIKeyOXPDWTWSYYRDQK-UHFFFAOYSA-N
XLogP1.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 51075838) is 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)OCCCNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OXPDWTWSYYRDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(2)21-9-5-7-16-14(19)12-10-17-13-6-3-4-8-18(13)15(12)20/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,16,19).
What are the key properties of 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51075838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).