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

C14H12N2O4 — CID 47265796

IUPAC6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(cc2O)OCO3)nc1
InChIInChI=1S/C14H12N2O4/c1-8-2-3-13(15-6-8)16-14(18)9-4-11-12(5-10(9)17)20-7-19-11/h2-6,17H,7H2,1H3,(H,15,16,18)
InChIKeyUOLJBTNBCNRIRM-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.08
Rot. Bonds2

About 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide

6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 47265796) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
PubChem CID47265796
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(cc2O)OCO3)nc1
InChIInChI=1S/C14H12N2O4/c1-8-2-3-13(15-6-8)16-14(18)9-4-11-12(5-10(9)17)20-7-19-11/h2-6,17H,7H2,1H3,(H,15,16,18)
InChIKeyUOLJBTNBCNRIRM-UHFFFAOYSA-N
XLogP2.08
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17394593
2,5-dimethyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 18106811
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543
6-amino-N-(4-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542804
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
2-amino-5-chloro-3-hydroxy-N-(5-methyl-2-pyridinyl)benzamide
CID 67991287
6-[(2-hydroxy-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 61317963
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide (CID 47265796) is 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is Cc1ccc(NC(=O)c2cc3c(cc2O)OCO3)nc1.
What is the InChIKey of 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is UOLJBTNBCNRIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-2-3-13(15-6-8)16-14(18)9-4-11-12(5-10(9)17)20-7-19-11/h2-6,17H,7H2,1H3,(H,15,16,18).
What are the key properties of 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide?
6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 47265796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).