N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide

C15H13N3O4 — CID 3149536

IUPACN'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O4/c19-14(17-8-10-2-1-5-16-7-10)15(20)18-11-3-4-12-13(6-11)22-9-21-12/h1-7H,8-9H2,(H,17,19)(H,18,20)
InChIKeyDFIHHFHMCLICDL-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.07
Rot. Bonds3

About N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide

N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 3149536) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
PubChem CID3149536
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O4/c19-14(17-8-10-2-1-5-16-7-10)15(20)18-11-3-4-12-13(6-11)22-9-21-12/h1-7H,8-9H2,(H,17,19)(H,18,20)
InChIKeyDFIHHFHMCLICDL-UHFFFAOYSA-N
XLogP1.07
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(benzo[d][1,3]dioxol-5-yl)picolinamide
CID 738280
1-(1,3-Benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea
CID 971608
N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide
CID 2471206
N-(1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 756817
N-1,3-benzodioxol-5-yl-N'-(2-pyridinylmethyl)urea
CID 971167
Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine
CID 1087209
N-Benzo[1,3]dioxol-5-yl-N-[(3-methyl-butylcarbamoyl)-methyl]-N'-pyridin-2-yl-succinamide
CID 649507
(E)-3-(1,3-benzodioxol-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 694817
1-(1,3-Benzodioxol-5-yl)-3-pyridin-3-ylurea
CID 970916
N-(1,3-dioxaindan-5-yl)-6-chloropyridine-3-carboxamide
CID 2081675
N~2~-1,3-benzodioxol-5-yl-N~2~-(methylsulfonyl)-N~1~-3-pyridinylglycinamide
CID 2227030
N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide
CID 2434567

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide (CID 3149536) is N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is DFIHHFHMCLICDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14(17-8-10-2-1-5-16-7-10)15(20)18-11-3-4-12-13(6-11)22-9-21-12/h1-7H,8-9H2,(H,17,19)(H,18,20).
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide?
N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 299.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3149536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).