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

C28H29FN4O3 — CID 3205979

IUPACN-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2ccccn2)C(C(=O)NC2CCCCC2)c2ccccc2F)cc1
InChIInChI=1S/C28H29FN4O3/c1-19(34)31-21-14-16-22(17-15-21)33(28(36)25-13-7-8-18-30-25)26(23-11-5-6-12-24(23)29)27(35)32-20-9-3-2-4-10-20/h5-8,11-18,20,26H,2-4,9-10H2,1H3,(H,31,34)(H,32,35)
InChIKeyHSBLAXYSTKIDMK-UHFFFAOYSA-N
MW488.56 g/mol
LogP5.02
Rot. Bonds7

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

N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 3205979) has the molecular formula C28H29FN4O3 and a molecular weight of 488.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID3205979
Molecular FormulaC28H29FN4O3
Molecular Weight488.56 g/mol
Exact Mass488.22
IUPAC NameN-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2ccccn2)C(C(=O)NC2CCCCC2)c2ccccc2F)cc1
InChIInChI=1S/C28H29FN4O3/c1-19(34)31-21-14-16-22(17-15-21)33(28(36)25-13-7-8-18-30-25)26(23-11-5-6-12-24(23)29)27(35)32-20-9-3-2-4-10-20/h5-8,11-18,20,26H,2-4,9-10H2,1H3,(H,31,34)(H,32,35)
InChIKeyHSBLAXYSTKIDMK-UHFFFAOYSA-N
XLogP5.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 55.02
H-Bond Donors ≤ 52
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-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3206084
N-(4-acetamidophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 1140610
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
CID 3206049
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 1439666
N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45276672
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-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 3191249
N-(3-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 40782591

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide (CID 3205979) is N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide is CC(=O)Nc1ccc(N(C(=O)c2ccccn2)C(C(=O)NC2CCCCC2)c2ccccc2F)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is HSBLAXYSTKIDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3/c1-19(34)31-21-14-16-22(17-15-21)33(28(36)25-13-7-8-18-30-25)26(23-11-5-6-12-24(23)29)27(35)32-20-9-3-2-4-10-20/h5-8,11-18,20,26H,2-4,9-10H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide?
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 488.56 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 3205979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).