N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide

C22H23N3O — CID 109242782

IUPACN-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C22H23N3O/c1-4-17-7-5-6-8-20(17)24-19-12-18(13-23-14-19)22(26)25-21-11-15(2)9-10-16(21)3/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyAEEQTPVVCOFLJS-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.26
Rot. Bonds5

About N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide

N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide (PubChem CID 109242782) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
PubChem CID109242782
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
SMILESCCc1ccccc1Nc1cncc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C22H23N3O/c1-4-17-7-5-6-8-20(17)24-19-12-18(13-23-14-19)22(26)25-21-11-15(2)9-10-16(21)3/h5-14,24H,4H2,1-3H3,(H,25,26)
InChIKeyAEEQTPVVCOFLJS-UHFFFAOYSA-N
XLogP5.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241836
5-(3,4-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242952
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-(3-acetylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243411
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243423
5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242816
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide (CID 109242782) is N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide is CCc1ccccc1Nc1cncc(C(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
The InChIKey is AEEQTPVVCOFLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-17-7-5-6-8-20(17)24-19-12-18(13-23-14-19)22(26)25-21-11-15(2)9-10-16(21)3/h5-14,24H,4H2,1-3H3,(H,25,26).
What are the key properties of N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide?
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).