5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

C21H21N3O — CID 109241836

IUPAC5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C21H21N3O/c1-3-16-8-4-5-10-20(16)23-19-12-17(13-22-14-19)21(25)24-18-9-6-7-15(2)11-18/h4-14,23H,3H2,1-2H3,(H,24,25)
InChIKeyBFRXDZKVFSHGRQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.95
Rot. Bonds5

About 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 109241836) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID109241836
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C21H21N3O/c1-3-16-8-4-5-10-20(16)23-19-12-17(13-22-14-19)21(25)24-18-9-6-7-15(2)11-18/h4-14,23H,3H2,1-2H3,(H,24,25)
InChIKeyBFRXDZKVFSHGRQ-UHFFFAOYSA-N
XLogP4.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243423
N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243411
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241837
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197300
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (CID 109241836) is 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is CCc1ccccc1Nc1cncc(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is BFRXDZKVFSHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-16-8-4-5-10-20(16)23-19-12-17(13-22-14-19)21(25)24-18-9-6-7-15(2)11-18/h4-14,23H,3H2,1-2H3,(H,24,25).
What are the key properties of 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109241836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).