N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide

C14H12N2O3 — CID 3413292

IUPACN-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O3/c1-9-3-2-6-15-13(9)16-14(17)10-4-5-11-12(7-10)19-8-18-11/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyWPZHKUITMHVXQX-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.37
Rot. Bonds2

About N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide

N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 3413292) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
PubChem CID3413292
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O3/c1-9-3-2-6-15-13(9)16-14(17)10-4-5-11-12(7-10)19-8-18-11/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyWPZHKUITMHVXQX-UHFFFAOYSA-N
XLogP2.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (CID 3413292) is N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is Cc1cccnc1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is WPZHKUITMHVXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-3-2-6-15-13(9)16-14(17)10-4-5-11-12(7-10)19-8-18-11/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 3413292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).