N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide

C22H21N3O3 — CID 109234600

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1C
InChIInChI=1S/C22H21N3O3/c1-14-3-5-18(7-15(14)2)25-19-9-17(11-23-12-19)22(26)24-10-16-4-6-20-21(8-16)28-13-27-20/h3-9,11-12,25H,10,13H2,1-2H3,(H,24,26)
InChIKeyMYBDOOGYAQNDAC-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.10
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109234600) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
PubChem CID109234600
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1C
InChIInChI=1S/C22H21N3O3/c1-14-3-5-18(7-15(14)2)25-19-9-17(11-23-12-19)22(26)24-10-16-4-6-20-21(8-16)28-13-27-20/h3-9,11-12,25H,10,13H2,1-2H3,(H,24,26)
InChIKeyMYBDOOGYAQNDAC-UHFFFAOYSA-N
XLogP4.10
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzodioxol-5-ylamino)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109234631
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109234623
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109234637
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109234618
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103588
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105833
N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 2240526
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyridine-3-carboxamide
CID 46345727
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide (CID 109234600) is N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is MYBDOOGYAQNDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-3-5-18(7-15(14)2)25-19-9-17(11-23-12-19)22(26)24-10-16-4-6-20-21(8-16)28-13-27-20/h3-9,11-12,25H,10,13H2,1-2H3,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.10, 5 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-ylmethyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109234600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).