5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide

C22H23N3O — CID 109190822

IUPAC5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(C)cc2)nc1
InChIInChI=1S/C22H23N3O/c1-3-25(16-18-7-5-4-6-8-18)20-13-14-21(23-15-20)22(26)24-19-11-9-17(2)10-12-19/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyNZVBNLLVUGYWIV-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.67
Rot. Bonds6

About 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide

5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109190822) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID109190822
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(C)cc2)nc1
InChIInChI=1S/C22H23N3O/c1-3-25(16-18-7-5-4-6-8-18)20-13-14-21(23-15-20)22(26)24-19-11-9-17(2)10-12-19/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyNZVBNLLVUGYWIV-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
5-[benzyl(ethyl)amino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190820
5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109190853
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
CID 109190861
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
CID 113012579
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide (CID 109190822) is 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide is CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(C)cc2)nc1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is NZVBNLLVUGYWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-25(16-18-7-5-4-6-8-18)20-13-14-21(23-15-20)22(26)24-19-11-9-17(2)10-12-19/h4-15H,3,16H2,1-2H3,(H,24,26).
What are the key properties of 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide?
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).