N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide

C21H19N3O3 — CID 109189319

IUPACN-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C21H19N3O3/c1-24(13-15-5-3-2-4-6-15)17-8-9-18(22-12-17)21(25)23-16-7-10-19-20(11-16)27-14-26-19/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyYMOFUGJMITWIOE-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.70
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide (PubChem CID 109189319) 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-[benzyl(methyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide
PubChem CID109189319
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C21H19N3O3/c1-24(13-15-5-3-2-4-6-15)17-8-9-18(22-12-17)21(25)23-16-7-10-19-20(11-16)27-14-26-19/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyYMOFUGJMITWIOE-UHFFFAOYSA-N
XLogP3.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211107
N-(1,3-benzodioxol-5-yl)-2-[benzyl(methyl)amino]pyrimidine-5-carboxamide
CID 109256853
N-[4-[benzyl(methyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982312
N-(1,3-benzodioxol-5-yl)-6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxamide
CID 109369426
N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188590
2-[benzyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109256854
5-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109189340
5-[benzyl(methyl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179860
N-(1,3-benzodioxol-5-yl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311667
N-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188826
5-[benzyl(methyl)amino]-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109189327
5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109189250

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide (CID 109189319) is N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide is CN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide?
The InChIKey is YMOFUGJMITWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-24(13-15-5-3-2-4-6-15)17-8-9-18(22-12-17)21(25)23-16-7-10-19-20(11-16)27-14-26-19/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 109189319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).