4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide

C21H21N3O — CID 109209829

IUPAC4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccccc3)ccn2)cc1C
InChIInChI=1S/C21H21N3O/c1-15-8-9-19(12-16(15)2)24-21(25)20-13-18(10-11-22-20)23-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOMVRFHLJMCAYPM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.56
Rot. Bonds5

About 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide

4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109209829) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109209829
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccccc3)ccn2)cc1C
InChIInChI=1S/C21H21N3O/c1-15-8-9-19(12-16(15)2)24-21(25)20-13-18(10-11-22-20)23-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOMVRFHLJMCAYPM-UHFFFAOYSA-N
XLogP4.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213171
4-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 109209889
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
2-N-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383
N-(2,5-dimethylphenyl)-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210329
N-(2,3-dimethylphenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213435
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide (CID 109209829) is 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(NCc3ccccc3)ccn2)cc1C.
What is the InChIKey of 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is OMVRFHLJMCAYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-8-9-19(12-16(15)2)24-21(25)20-13-18(10-11-22-20)23-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide?
4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109209829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).