4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide

C21H21N3O — CID 109219349

IUPAC4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-3-24(18-12-8-5-9-13-18)19-14-15-22-20(16-19)21(25)23(2)17-10-6-4-7-11-17/h4-16H,3H2,1-2H3
InChIKeyAYMDJXKMULLJLY-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.52
Rot. Bonds5

About 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide

4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide (PubChem CID 109219349) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
PubChem CID109219349
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-3-24(18-12-8-5-9-13-18)19-14-15-22-20(16-19)21(25)23(2)17-10-6-4-7-11-17/h4-16H,3H2,1-2H3
InChIKeyAYMDJXKMULLJLY-UHFFFAOYSA-N
XLogP4.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
N-tert-butyl-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109216854
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109211655
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188
4-(N-ethylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210693
2-N-methyl-2-N-phenyl-4-N-propylpyridine-2,4-dicarboxamide
CID 109077708
6-(diethylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353284
4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109220319
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide (CID 109219349) is 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide is CCN(c1ccccc1)c1ccnc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
The InChIKey is AYMDJXKMULLJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-24(18-12-8-5-9-13-18)19-14-15-22-20(16-19)21(25)23(2)17-10-6-4-7-11-17/h4-16H,3H2,1-2H3.
What are the key properties of 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide?
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109219349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).