N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H13N3O4 — CID 3241382

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H13N3O4/c21-16(12-10-18-15-3-1-2-6-20(15)17(12)22)19-11-4-5-13-14(9-11)24-8-7-23-13/h1-6,9-10H,7-8H2,(H,19,21)
InChIKeyZIHGUWRXYDYOHE-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.72
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3241382) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3241382
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H13N3O4/c21-16(12-10-18-15-3-1-2-6-20(15)17(12)22)19-11-4-5-13-14(9-11)24-8-7-23-13/h1-6,9-10H,7-8H2,(H,19,21)
InChIKeyZIHGUWRXYDYOHE-UHFFFAOYSA-N
XLogP1.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860074
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 1534538
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4130088
6-imino-N-(3-methoxyphenyl)-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1034432
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-3(4H)-quinazolinyl)propanamide
CID 1291165
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4047057
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3-methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 4113281
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256633
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7258994
2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7259446
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 7422716
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-(3-methylbenzyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 7598361

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3241382) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZIHGUWRXYDYOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-16(12-10-18-15-3-1-2-6-20(15)17(12)22)19-11-4-5-13-14(9-11)24-8-7-23-13/h1-6,9-10H,7-8H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3241382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).