N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide

C28H28FN3O3 — CID 3206084

IUPACN-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)c2ccccn2)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H28FN3O3/c1-19(33)20-12-16-24(17-13-20)32(28(35)25-9-5-6-18-30-25)26(21-10-14-22(29)15-11-21)27(34)31-23-7-3-2-4-8-23/h5-6,9-18,23,26H,2-4,7-8H2,1H3,(H,31,34)
InChIKeyXWXDIKOBGYYDKN-UHFFFAOYSA-N
MW473.55 g/mol
LogP5.26
Rot. Bonds7

About N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide

N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 3206084) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID3206084
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC NameN-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(N(C(=O)c2ccccn2)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H28FN3O3/c1-19(33)20-12-16-24(17-13-20)32(28(35)25-9-5-6-18-30-25)26(21-10-14-22(29)15-11-21)27(34)31-23-7-3-2-4-8-23/h5-6,9-18,23,26H,2-4,7-8H2,1H3,(H,31,34)
InChIKeyXWXDIKOBGYYDKN-UHFFFAOYSA-N
XLogP5.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 1439666
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3205979
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 3178297
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3562026
N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 1439635
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 3200686
methyl 4-[[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate
CID 1167533
N-(3-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 40782591
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2-carboxamide
CID 3206109
N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
CID 3206049
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide (CID 3206084) is N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide is CC(=O)c1ccc(N(C(=O)c2ccccn2)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is XWXDIKOBGYYDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3/c1-19(33)20-12-16-24(17-13-20)32(28(35)25-9-5-6-18-30-25)26(21-10-14-22(29)15-11-21)27(34)31-23-7-3-2-4-8-23/h5-6,9-18,23,26H,2-4,7-8H2,1H3,(H,31,34).
What are the key properties of N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide?
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 3206084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).