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

C15H19N3O4 — CID 135681037

IUPAC2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C15H19N3O4/c1-10(2)22-9-5-7-16-13(19)12-14(20)17-11-6-3-4-8-18(11)15(12)21/h3-4,6,8,10,20H,5,7,9H2,1-2H3,(H,16,19)
InChIKeyZPVMYMYENGHRPZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.94
Rot. Bonds6

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

2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681037) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681037
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C15H19N3O4/c1-10(2)22-9-5-7-16-13(19)12-14(20)17-11-6-3-4-8-18(11)15(12)21/h3-4,6,8,10,20H,5,7,9H2,1-2H3,(H,16,19)
InChIKeyZPVMYMYENGHRPZ-UHFFFAOYSA-N
XLogP0.94
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681037) is 2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)OCCCNC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZPVMYMYENGHRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10(2)22-9-5-7-16-13(19)12-14(20)17-11-6-3-4-8-18(11)15(12)21/h3-4,6,8,10,20H,5,7,9H2,1-2H3,(H,16,19).
What are the key properties of 2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).