N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide

C22H21N3O — CID 89352136

IUPACN-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide
SMILESC=CNc1cccc(-c2cncc(C(=O)Nc3c(C)cccc3C)c2)c1
InChIInChI=1S/C22H21N3O/c1-4-24-20-10-6-9-17(12-20)18-11-19(14-23-13-18)22(26)25-21-15(2)7-5-8-16(21)3/h4-14,24H,1H2,2-3H3,(H,25,26)
InChIKeyARSBDJGCYMWYKH-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.17
Rot. Bonds5

About N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide

N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide (PubChem CID 89352136) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide
PubChem CID89352136
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide
SMILESC=CNc1cccc(-c2cncc(C(=O)Nc3c(C)cccc3C)c2)c1
InChIInChI=1S/C22H21N3O/c1-4-24-20-10-6-9-17(12-20)18-11-19(14-23-13-18)22(26)25-21-15(2)7-5-8-16(21)3/h4-14,24H,1H2,2-3H3,(H,25,26)
InChIKeyARSBDJGCYMWYKH-UHFFFAOYSA-N
XLogP5.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 69401250
carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide
CID 143475247
[3-[5-[(2,6-dimethylphenyl)carbamoyl]-3-pyridinyl]phenyl]methyl carbamate
CID 69400057
5-[4-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 69400278
5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243164
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
5-(3-methoxyphenyl)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 10041572
5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109243920
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide
CID 136516074

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide (CID 89352136) is N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide is C=CNc1cccc(-c2cncc(C(=O)Nc3c(C)cccc3C)c2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is ARSBDJGCYMWYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-4-24-20-10-6-9-17(12-20)18-11-19(14-23-13-18)22(26)25-21-15(2)7-5-8-16(21)3/h4-14,24H,1H2,2-3H3,(H,25,26).
What are the key properties of N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 89352136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).