5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide

C22H21N3O2 — CID 109198506

IUPAC5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2cccc(C(C)=O)c2)cn1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-3-25(20-10-5-4-6-11-20)22(27)21-13-12-19(15-23-21)24-18-9-7-8-17(14-18)16(2)26/h4-15,24H,3H2,1-2H3
InChIKeyMSOUAMCRTKQLTL-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.69
Rot. Bonds6

About 5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide

5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide (PubChem CID 109198506) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
PubChem CID109198506
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2cccc(C(C)=O)c2)cn1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-3-25(20-10-5-4-6-11-20)22(27)21-13-12-19(15-23-21)24-18-9-7-8-17(14-18)16(2)26/h4-15,24H,3H2,1-2H3
InChIKeyMSOUAMCRTKQLTL-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

5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198507
5-(3-bromoanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198518
6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849535
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243578
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
N-ethyl-N-phenyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189023
N-ethyl-5-(pentylamino)-N-phenylpyridine-2-carboxamide
CID 109195842
5-(4-acetylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197604
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide (CID 109198506) is 5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide is CCN(C(=O)c1ccc(Nc2cccc(C(C)=O)c2)cn1)c1ccccc1.
What is the InChIKey of 5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
The InChIKey is MSOUAMCRTKQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-25(20-10-5-4-6-11-20)22(27)21-13-12-19(15-23-21)24-18-9-7-8-17(14-18)16(2)26/h4-15,24H,3H2,1-2H3.
What are the key properties of 5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide?
5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-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-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 109198506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).