2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide

C22H21N3O3 — CID 109171451

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccc4c(c3)OCO4)c2)cc1C
InChIInChI=1S/C22H21N3O3/c1-14-3-5-18(9-15(14)2)25-22(26)17-7-8-23-21(11-17)24-12-16-4-6-19-20(10-16)28-13-27-19/h3-11H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDMGYIXJDFGUTFQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.29
Rot. Bonds5

About 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide

2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 109171451) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide
PubChem CID109171451
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3ccc4c(c3)OCO4)c2)cc1C
InChIInChI=1S/C22H21N3O3/c1-14-3-5-18(9-15(14)2)25-22(26)17-7-8-23-21(11-17)24-12-16-4-6-19-20(10-16)28-13-27-19/h3-11H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyDMGYIXJDFGUTFQ-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyridine-4-carboxamide
CID 109171482
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109171474
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171471
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide
CID 109171488
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169974
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171426
6-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109157436
2-(1,3-benzodioxol-5-ylmethylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109171446
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112892693
2-(1,3-benzodioxol-5-ylmethylamino)-N,N-dipropylpyridine-4-carboxamide
CID 109171441
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109171367
2-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176718

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide (CID 109171451) is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCc3ccc4c(c3)OCO4)c2)cc1C.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is DMGYIXJDFGUTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-3-5-18(9-15(14)2)25-22(26)17-7-8-23-21(11-17)24-12-16-4-6-19-20(10-16)28-13-27-19/h3-11H,12-13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide?
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).