N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide

C20H17N3O3 — CID 109219186

IUPACN-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide
SMILESCc1cccc(Nc2ccnc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C20H17N3O3/c1-13-3-2-4-14(9-13)22-16-7-8-21-17(10-16)20(24)23-15-5-6-18-19(11-15)26-12-25-18/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyCIOHDSJLIBYNKX-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.11
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide (PubChem CID 109219186) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide
PubChem CID109219186
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide
SMILESCc1cccc(Nc2ccnc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1
InChIInChI=1S/C20H17N3O3/c1-13-3-2-4-14(9-13)22-16-7-8-21-17(10-16)20(24)23-15-5-6-18-19(11-15)26-12-25-18/h2-11H,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyCIOHDSJLIBYNKX-UHFFFAOYSA-N
XLogP4.11
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219950
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109219984
N-(1,3-benzodioxol-5-yl)-4-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109222503
4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219115
N-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109220965
N-(1,3-benzodioxol-5-yl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848247
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylanilino)pyridine-2-carboxamide
CID 109219918
4-(1,3-benzodioxol-5-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109220544
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219134
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315158
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide (CID 109219186) is N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide is Cc1cccc(Nc2ccnc(C(=O)Nc3ccc4c(c3)OCO4)c2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide?
The InChIKey is CIOHDSJLIBYNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-3-2-4-14(9-13)22-16-7-8-21-17(10-16)20(24)23-15-5-6-18-19(11-15)26-12-25-18/h2-11H,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(3-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).