N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide

C22H23N3O — CID 109232942

IUPACN-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H23N3O/c1-3-17-9-11-20(12-10-17)25-22(26)19-13-21(15-23-14-19)24-16(2)18-7-5-4-6-8-18/h4-16,24H,3H2,1-2H3,(H,25,26)
InChIKeyIOPOWUASLARGGI-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.07
Rot. Bonds6

About N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide

N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109232942) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109232942
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cncc(NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H23N3O/c1-3-17-9-11-20(12-10-17)25-22(26)19-13-21(15-23-14-19)24-16(2)18-7-5-4-6-8-18/h4-16,24H,3H2,1-2H3,(H,25,26)
InChIKeyIOPOWUASLARGGI-UHFFFAOYSA-N
XLogP5.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-ethylphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105379
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634
N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232883
N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109227650
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
N-(4-ethylphenyl)-5-hydroxypyridine-3-carboxamide
CID 55258455
N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109229099
5-N-butan-2-yl-3-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102383
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
N-(4-ethylphenyl)benzamide
CID 774063

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide (CID 109232942) is N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide is CCc1ccc(NC(=O)c2cncc(NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is IOPOWUASLARGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-17-9-11-20(12-10-17)25-22(26)19-13-21(15-23-14-19)24-16(2)18-7-5-4-6-8-18/h4-16,24H,3H2,1-2H3,(H,25,26).
What are the key properties of N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide?
N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109232942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).