N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

C21H19N3O3 — CID 109188590

IUPACN-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)c1
InChIInChI=1S/C21H19N3O3/c1-14-3-2-4-15(9-14)11-22-17-5-7-18(23-12-17)21(25)24-16-6-8-19-20(10-16)27-13-26-19/h2-10,12,22H,11,13H2,1H3,(H,24,25)
InChIKeyUIYFLOBTUPUZCD-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.98
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109188590) 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-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109188590
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)c1
InChIInChI=1S/C21H19N3O3/c1-14-3-2-4-15(9-14)11-22-17-5-7-18(23-12-17)21(25)24-16-6-8-19-20(10-16)27-13-26-19/h2-10,12,22H,11,13H2,1H3,(H,24,25)
InChIKeyUIYFLOBTUPUZCD-UHFFFAOYSA-N
XLogP3.98
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188826
N-(1,3-benzodioxol-5-yl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118331
N-(1,3-benzodioxol-5-yl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327655
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109190687
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807
N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188558
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109190697
N-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188543
N-(1,3-benzodioxol-5-yl)-5-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109189319
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109188570
N-(1,3-benzodioxol-5-yl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109198757

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide (CID 109188590) is N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is Cc1cccc(CNc2ccc(C(=O)Nc3ccc4c(c3)OCO4)nc2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is UIYFLOBTUPUZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-3-2-4-15(9-14)11-22-17-5-7-18(23-12-17)21(25)24-16-6-8-19-20(10-16)27-13-26-19/h2-10,12,22H,11,13H2,1H3,(H,24,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.98, 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-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109188590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).