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

C21H19N3O3 — CID 109243265

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(Nc3ccc4c(c3)OCO4)c2)c1C
InChIInChI=1S/C21H19N3O3/c1-13-4-3-5-18(14(13)2)24-21(25)15-8-17(11-22-10-15)23-16-6-7-19-20(9-16)27-12-26-19/h3-11,23H,12H2,1-2H3,(H,24,25)
InChIKeyTXFBOCBFRQMJFY-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.42
Rot. Bonds4

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

5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109243265) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109243265
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(Nc3ccc4c(c3)OCO4)c2)c1C
InChIInChI=1S/C21H19N3O3/c1-13-4-3-5-18(14(13)2)24-21(25)15-8-17(11-22-10-15)23-16-6-7-19-20(9-16)27-12-26-19/h3-11,23H,12H2,1-2H3,(H,24,25)
InChIKeyTXFBOCBFRQMJFY-UHFFFAOYSA-N
XLogP4.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
5-(1,3-benzodioxol-5-ylamino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109245401
5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109245515
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243700
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241801
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109243240
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291390
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243767
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide (CID 109243265) is 5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(Nc3ccc4c(c3)OCO4)c2)c1C.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is TXFBOCBFRQMJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-4-3-5-18(14(13)2)24-21(25)15-8-17(11-22-10-15)23-16-6-7-19-20(9-16)27-12-26-19/h3-11,23H,12H2,1-2H3,(H,24,25).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).