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

C21H21N3O — CID 69401250

IUPAC5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cncc(-c2cccc(CN)c2)c1
InChIInChI=1S/C21H21N3O/c1-14-5-3-6-15(2)20(14)24-21(25)19-10-18(12-23-13-19)17-8-4-7-16(9-17)11-22/h3-10,12-13H,11,22H2,1-2H3,(H,24,25)
InChIKeyQCOJEAXFONNGFL-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.08
Rot. Bonds4

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

5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 69401250) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
PubChem CID69401250
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cncc(-c2cccc(CN)c2)c1
InChIInChI=1S/C21H21N3O/c1-14-5-3-6-15(2)20(14)24-21(25)19-10-18(12-23-13-19)17-8-4-7-16(9-17)11-22/h3-10,12-13H,11,22H2,1-2H3,(H,24,25)
InChIKeyQCOJEAXFONNGFL-UHFFFAOYSA-N
XLogP4.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 69400278
[3-[5-[(2,6-dimethylphenyl)carbamoyl]-3-pyridinyl]phenyl]methyl carbamate
CID 69400057
N-(2,6-dimethylphenyl)-5-[3-(ethenylamino)phenyl]pyridine-3-carboxamide
CID 89352136
carbon dioxide;N-(2,6-dimethylphenyl)-5-[4-[(ethenylamino)methyl]phenyl]pyridine-3-carboxamide
CID 143475247
5-(3-methoxyphenyl)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 10041572
3-[3-(aminomethyl)phenyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 166392213
N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 55168003
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
[5-[3-(aminomethyl)phenyl]-3-pyridinyl]boronic acid
CID 67451424
5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243164
3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431
N,5-diphenylpyridine-3-carboxamide
CID 110683714

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide (CID 69401250) is 5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cncc(-c2cccc(CN)c2)c1.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is QCOJEAXFONNGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-5-3-6-15(2)20(14)24-21(25)19-10-18(12-23-13-19)17-8-4-7-16(9-17)11-22/h3-10,12-13H,11,22H2,1-2H3,(H,24,25).
What are the key properties of 5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide?
5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-N-(2,6-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 69401250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).