N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide

C21H21N3O — CID 109219281

IUPACN-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Nc3ccc(C)cc3)ccn2)cc1
InChIInChI=1S/C21H21N3O/c1-3-16-6-10-18(11-7-16)24-21(25)20-14-19(12-13-22-20)23-17-8-4-15(2)5-9-17/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyPGWXVBHZCHZYLF-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.95
Rot. Bonds5

About N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide

N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide (PubChem CID 109219281) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
PubChem CID109219281
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Nc3ccc(C)cc3)ccn2)cc1
InChIInChI=1S/C21H21N3O/c1-3-16-6-10-18(11-7-16)24-21(25)20-14-19(12-13-22-20)23-17-8-4-15(2)5-9-17/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyPGWXVBHZCHZYLF-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

4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248
4-(3,5-dimethylanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219210
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
4-(methylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62166966
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
4-(3-methoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219226
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
2-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091133
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide (CID 109219281) is N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide is CCc1ccc(NC(=O)c2cc(Nc3ccc(C)cc3)ccn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide?
The InChIKey is PGWXVBHZCHZYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-16-6-10-18(11-7-16)24-21(25)20-14-19(12-13-22-20)23-17-8-4-15(2)5-9-17/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide?
N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-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 N-(4-ethylphenyl)-4-(4-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).