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

C14H12N2O3 — CID 669665

IUPACN-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C14H12N2O3/c1-9-2-5-13(15-7-9)16-14(17)10-3-4-11-12(6-10)19-8-18-11/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyOXMSYBVJTYDNIK-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.37
Rot. Bonds2

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

N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 669665) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
PubChem CID669665
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C14H12N2O3/c1-9-2-5-13(15-7-9)16-14(17)10-3-4-11-12(6-10)19-8-18-11/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyOXMSYBVJTYDNIK-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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Related Compounds

N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17394593
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826
6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 47265796
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N-(5-cyano-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 62354122
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271
N-(5-acetamido-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 166209984
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708628
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
N-[6-(3-methylanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113045734

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (CID 669665) is N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is OXMSYBVJTYDNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-2-5-13(15-7-9)16-14(17)10-3-4-11-12(6-10)19-8-18-11/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
N-(5-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-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 669665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).