N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide

C22H21N3O3 — CID 109198757

IUPACN-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)c(C)c1
InChIInChI=1S/C22H21N3O3/c1-13-8-14(2)21(15(3)9-13)24-17-4-6-18(23-11-17)22(26)25-16-5-7-19-20(10-16)28-12-27-19/h4-11,24H,12H2,1-3H3,(H,25,26)
InChIKeyZRPQEKGAGFLIMZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.73
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide (PubChem CID 109198757) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
PubChem CID109198757
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)c(C)c1
InChIInChI=1S/C22H21N3O3/c1-13-8-14(2)21(15(3)9-13)24-17-4-6-18(23-11-17)22(26)25-16-5-7-19-20(10-16)28-12-27-19/h4-11,24H,12H2,1-3H3,(H,25,26)
InChIKeyZRPQEKGAGFLIMZ-UHFFFAOYSA-N
XLogP4.73
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109198338
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
N-(1,3-benzodioxol-5-yl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180197
N-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188826
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109198075
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188590
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315158
N-(5-methyl-1,2-oxazol-3-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198762
2-(1,3-benzodioxol-5-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109269272
4-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219950

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide (CID 109198757) is N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide is Cc1cc(C)c(Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)c(C)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
The InChIKey is ZRPQEKGAGFLIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-8-14(2)21(15(3)9-13)24-17-4-6-18(23-11-17)22(26)25-16-5-7-19-20(10-16)28-12-27-19/h4-11,24H,12H2,1-3H3,(H,25,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.73, 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-(2,4,6-trimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).