5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide

C22H21N3O2 — CID 109243578

IUPAC5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Nc2ccc(C(C)=O)cc2)c1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-3-25(21-7-5-4-6-8-21)22(27)18-13-20(15-23-14-18)24-19-11-9-17(10-12-19)16(2)26/h4-15,24H,3H2,1-2H3
InChIKeyKTCCITCMQUWHBI-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.69
Rot. Bonds6

About 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide

5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide (PubChem CID 109243578) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
PubChem CID109243578
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(Nc2ccc(C(C)=O)cc2)c1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-3-25(21-7-5-4-6-8-21)22(27)18-13-20(15-23-14-18)24-19-11-9-17(10-12-19)16(2)26/h4-15,24H,3H2,1-2H3
InChIKeyKTCCITCMQUWHBI-UHFFFAOYSA-N
XLogP4.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109241929
5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243553
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198507
6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357483
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198506
N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
CID 109238844
N-ethyl-5-[(2-methoxyphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109234311
N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide
CID 109242250
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide (CID 109243578) is 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide is CCN(C(=O)c1cncc(Nc2ccc(C(C)=O)cc2)c1)c1ccccc1.
What is the InChIKey of 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide?
The InChIKey is KTCCITCMQUWHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-25(21-7-5-4-6-8-21)22(27)18-13-20(15-23-14-18)24-19-11-9-17(10-12-19)16(2)26/h4-15,24H,3H2,1-2H3.
What are the key properties of 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide?
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109243578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).