4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

C22H23N3O2 — CID 109210235

IUPAC4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCc3cccc(C)c3)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-27-20-9-7-18(8-10-20)25-19-11-12-23-21(14-19)22(26)24-15-17-6-4-5-16(2)13-17/h4-14H,3,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCLMVXPFYNZSNTH-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.46
Rot. Bonds7

About 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109210235) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109210235
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCc3cccc(C)c3)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-3-27-20-9-7-18(8-10-20)25-19-11-12-23-21(14-19)22(26)24-15-17-6-4-5-16(2)13-17/h4-14H,3,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCLMVXPFYNZSNTH-UHFFFAOYSA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210217
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217326
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945635
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210192

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (CID 109210235) is 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is CCOc1ccc(Nc2ccnc(C(=O)NCc3cccc(C)c3)c2)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is CLMVXPFYNZSNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-27-20-9-7-18(8-10-20)25-19-11-12-23-21(14-19)22(26)24-15-17-6-4-5-16(2)13-17/h4-14H,3,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).