N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide

C22H21N3O2 — CID 109176977

IUPACN-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C22H21N3O2/c1-3-25(20-7-5-4-6-8-20)21-15-18(13-14-23-21)22(27)24-19-11-9-17(10-12-19)16(2)26/h4-15H,3H2,1-2H3,(H,24,27)
InChIKeyAJFWMLQZECRWJR-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.69
Rot. Bonds6

About N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide

N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide (PubChem CID 109176977) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide
PubChem CID109176977
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1
InChIInChI=1S/C22H21N3O2/c1-3-25(20-7-5-4-6-8-20)21-15-18(13-14-23-21)22(27)24-19-11-9-17(10-12-19)16(2)26/h4-15H,3H2,1-2H3,(H,24,27)
InChIKeyAJFWMLQZECRWJR-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-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113017591
N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176388
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
methyl 4-[[2-(N-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315827
2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172872
N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109200389

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide (CID 109176977) is N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccn1.
What is the InChIKey of N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide?
The InChIKey is AJFWMLQZECRWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-25(20-7-5-4-6-8-20)21-15-18(13-14-23-21)22(27)24-19-11-9-17(10-12-19)16(2)26/h4-15H,3H2,1-2H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide?
N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-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 N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109176977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).