N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide

C21H21N3O — CID 109241929

IUPACN-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Nc2cccc(C)c2)c1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-3-24(20-10-5-4-6-11-20)21(25)17-13-19(15-22-14-17)23-18-9-7-8-16(2)12-18/h4-15,23H,3H2,1-2H3
InChIKeyZLIHUPUYIPLSMS-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.80
Rot. Bonds5

About N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide

N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide (PubChem CID 109241929) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
PubChem CID109241929
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Nc2cccc(C)c2)c1)c1ccccc1
InChIInChI=1S/C21H21N3O/c1-3-24(20-10-5-4-6-11-20)21(25)17-13-19(15-22-14-17)23-18-9-7-8-16(2)12-18/h4-15,23H,3H2,1-2H3
InChIKeyZLIHUPUYIPLSMS-UHFFFAOYSA-N
XLogP4.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243553
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243578
5-(2,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109245667
5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109230056
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
5-N-ethyl-5-N-(3-methylphenyl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105164
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
5-N-ethyl-3-N-(3-fluorophenyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108560
3-N-(3-chlorophenyl)-5-N-ethyl-5-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109108801
N-ethyl-5-[(4-methoxyphenyl)methylamino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109234564

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide (CID 109241929) is N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide is CCN(C(=O)c1cncc(Nc2cccc(C)c2)c1)c1ccccc1.
What is the InChIKey of N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide?
The InChIKey is ZLIHUPUYIPLSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-24(20-10-5-4-6-11-20)21(25)17-13-19(15-22-14-17)23-18-9-7-8-16(2)12-18/h4-15,23H,3H2,1-2H3.
What are the key properties of N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide?
N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109241929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).