6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

C22H23N3O — CID 109158309

IUPAC6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O/c1-2-17-8-11-20(12-9-17)25-21-13-10-19(16-24-21)22(26)23-15-14-18-6-4-3-5-7-18/h3-13,16H,2,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyXBRLMMMQSNLBNH-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.36
Rot. Bonds7

About 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 109158309) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID109158309
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O/c1-2-17-8-11-20(12-9-17)25-21-13-10-19(16-24-21)22(26)23-15-14-18-6-4-3-5-7-18/h3-13,16H,2,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyXBRLMMMQSNLBNH-UHFFFAOYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 109158309) is 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is CCc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)cn2)cc1.
What is the InChIKey of 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is XBRLMMMQSNLBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-17-8-11-20(12-9-17)25-21-13-10-19(16-24-21)22(26)23-15-14-18-6-4-3-5-7-18/h3-13,16H,2,14-15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109158309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).