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

C21H19N3O3 — CID 109198338

IUPACN-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)c1C
InChIInChI=1S/C21H19N3O3/c1-13-4-3-5-17(14(13)2)23-16-6-8-18(22-11-16)21(25)24-15-7-9-19-20(10-15)27-12-26-19/h3-11,23H,12H2,1-2H3,(H,24,25)
InChIKeyXHMZCTUVDPYSQX-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.42
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide (PubChem CID 109198338) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide
PubChem CID109198338
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)c1C
InChIInChI=1S/C21H19N3O3/c1-13-4-3-5-17(14(13)2)23-16-6-8-18(22-11-16)21(25)24-15-7-9-19-20(10-15)27-12-26-19/h3-11,23H,12H2,1-2H3,(H,24,25)
InChIKeyXHMZCTUVDPYSQX-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

5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291390
N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198757
N-(1,3-benzodioxol-5-yl)-6-(3-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128821
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109198075
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188590
N-cyclopropyl-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109179934
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109243265
5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109200730
N-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188826
N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180197
N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129169

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide (CID 109198338) is N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide is Cc1cccc(Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)c1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide?
The InChIKey is XHMZCTUVDPYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-4-3-5-17(14(13)2)23-16-6-8-18(22-11-16)21(25)24-15-7-9-19-20(10-15)27-12-26-19/h3-11,23H,12H2,1-2H3,(H,24,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-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 N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).