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

C17H13N3O5 — CID 135681052

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C17H13N3O5/c21-15(18-8-10-4-5-11-12(7-10)25-9-24-11)14-16(22)19-13-3-1-2-6-20(13)17(14)23/h1-7,22H,8-9H2,(H,18,21)
InChIKeyXDRVMMDTEKWGRQ-UHFFFAOYSA-N
MW339.31 g/mol
LogP1.06
Rot. Bonds3

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

N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681052) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681052
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C17H13N3O5/c21-15(18-8-10-4-5-11-12(7-10)25-9-24-11)14-16(22)19-13-3-1-2-6-20(13)17(14)23/h1-7,22H,8-9H2,(H,18,21)
InChIKeyXDRVMMDTEKWGRQ-UHFFFAOYSA-N
XLogP1.06
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-imino-7-octyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3805636
N-(1,3-benzodioxol-5-ylmethyl)-6-imino-7-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3653933
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
N-(1,3-benzodioxol-5-ylmethyl)-6-imino-7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3813742
N-(1,3-benzodioxol-5-ylmethyl)-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 70689272
N-(1,3-benzodioxol-5-ylmethyl)cinnoline-3-carboxamide
CID 110705057
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20914926
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CID 2810328
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681052) is N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XDRVMMDTEKWGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c21-15(18-8-10-4-5-11-12(7-10)25-9-24-11)14-16(22)19-13-3-1-2-6-20(13)17(14)23/h1-7,22H,8-9H2,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).