4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide

C22H21N3O2 — CID 109220139

IUPAC4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Nc2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C22H21N3O2/c1-3-16-7-4-5-10-20(16)25-22(27)21-14-19(11-12-23-21)24-18-9-6-8-17(13-18)15(2)26/h4-14H,3H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyWSDOARQIXSIOMO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.84
Rot. Bonds6

About 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide

4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide (PubChem CID 109220139) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
PubChem CID109220139
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Nc2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C22H21N3O2/c1-3-16-7-4-5-10-20(16)25-22(27)21-14-19(11-12-23-21)24-18-9-6-8-17(13-18)15(2)26/h4-14H,3H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyWSDOARQIXSIOMO-UHFFFAOYSA-N
XLogP4.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
N-(3-acetylphenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220385
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221907
4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109211673
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
2-N-(2-ethylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090820
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide (CID 109220139) is 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide is CCc1ccccc1NC(=O)c1cc(Nc2cccc(C(C)=O)c2)ccn1.
What is the InChIKey of 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide?
The InChIKey is WSDOARQIXSIOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-16-7-4-5-10-20(16)25-22(27)21-14-19(11-12-23-21)24-18-9-6-8-17(13-18)15(2)26/h4-14H,3H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide?
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109220139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).