N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide

C14H12N2O3 — CID 2161731

IUPACN-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C14H12N2O3/c17-14(11-3-1-2-6-15-11)16-8-10-4-5-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)
InChIKeyUHAXBKYUZRSEOB-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.74
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 2161731) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID2161731
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C14H12N2O3/c17-14(11-3-1-2-6-15-11)16-8-10-4-5-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17)
InChIKeyUHAXBKYUZRSEOB-UHFFFAOYSA-N
XLogP1.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide (CID 2161731) is N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is UHAXBKYUZRSEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14(11-3-1-2-6-15-11)16-8-10-4-5-12-13(7-10)19-9-18-12/h1-7H,8-9H2,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 2161731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).