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

C21H16N4O3 — CID 109171488

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(NCc3ccc4c(c3)OCO4)c2)cc1
InChIInChI=1S/C21H16N4O3/c22-11-14-1-4-17(5-2-14)25-21(26)16-7-8-23-20(10-16)24-12-15-3-6-18-19(9-15)28-13-27-18/h1-10H,12-13H2,(H,23,24)(H,25,26)
InChIKeyCZQOMWVIAYJOLR-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.55
Rot. Bonds5

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

2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide (PubChem CID 109171488) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide
PubChem CID109171488
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(NCc3ccc4c(c3)OCO4)c2)cc1
InChIInChI=1S/C21H16N4O3/c22-11-14-1-4-17(5-2-14)25-21(26)16-7-8-23-20(10-16)24-12-15-3-6-18-19(9-15)28-13-27-18/h1-10H,12-13H2,(H,23,24)(H,25,26)
InChIKeyCZQOMWVIAYJOLR-UHFFFAOYSA-N
XLogP3.55
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyridine-4-carboxamide
CID 109171482
6-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109349305
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109171474
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-dimethylphenyl)pyridine-4-carboxamide
CID 109171451
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171471
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171426
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169974
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-cyanophenyl)oxamide
CID 108508533
6-(1,3-benzodioxol-5-ylmethylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109349304
2-(1,3-benzodioxol-5-ylmethylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109171446
N-(4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62249045
6-(1,3-benzodioxol-5-ylamino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109164804

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide (CID 109171488) is 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccnc(NCc3ccc4c(c3)OCO4)c2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is CZQOMWVIAYJOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c22-11-14-1-4-17(5-2-14)25-21(26)16-7-8-23-20(10-16)24-12-15-3-6-18-19(9-15)28-13-27-18/h1-10H,12-13H2,(H,23,24)(H,25,26).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide?
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).