4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

C23H25N3O — CID 109210168

IUPAC4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C23H25N3O/c1-3-26(17-19-9-5-4-6-10-19)21-12-13-24-22(15-21)23(27)25-16-20-11-7-8-18(2)14-20/h4-15H,3,16-17H2,1-2H3,(H,25,27)
InChIKeyDRJVFVJJJIGJIN-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.35
Rot. Bonds7

About 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109210168) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109210168
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C23H25N3O/c1-3-26(17-19-9-5-4-6-10-19)21-12-13-24-22(15-21)23(27)25-16-20-11-7-8-18(2)14-20/h4-15H,3,16-17H2,1-2H3,(H,25,27)
InChIKeyDRJVFVJJJIGJIN-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210192
6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347151
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
2-N-benzyl-2-N-ethyl-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085684
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-[benzyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109212665
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212643

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (CID 109210168) is 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is CCN(Cc1ccccc1)c1ccnc(C(=O)NCc2cccc(C)c2)c1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is DRJVFVJJJIGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-26(17-19-9-5-4-6-10-19)21-12-13-24-22(15-21)23(27)25-16-20-11-7-8-18(2)14-20/h4-15H,3,16-17H2,1-2H3,(H,25,27).
What are the key properties of 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).