N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H13N3O4 — CID 3237790

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H13N3O4/c21-16(12-9-18-15-3-1-2-6-20(15)17(12)22)19-8-11-4-5-13-14(7-11)24-10-23-13/h1-7,9H,8,10H2,(H,19,21)
InChIKeyNGVTZVFPYAQSBY-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.35
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3237790) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3237790
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H13N3O4/c21-16(12-9-18-15-3-1-2-6-20(15)17(12)22)19-8-11-4-5-13-14(7-11)24-10-23-13/h1-7,9H,8,10H2,(H,19,21)
InChIKeyNGVTZVFPYAQSBY-UHFFFAOYSA-N
XLogP1.35
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3237790) is N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NGVTZVFPYAQSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-16(12-9-18-15-3-1-2-6-20(15)17(12)22)19-8-11-4-5-13-14(7-11)24-10-23-13/h1-7,9H,8,10H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3237790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).