N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

C23H28FN3O3 — CID 92632214

IUPACN-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O
InChIInChI=1S/C23H28FN3O3/c1-3-20(16-8-11-18(24)12-9-16)26(2)22(29)15-27-14-17(10-13-21(27)28)23(30)25-19-6-4-5-7-19/h8-14,19-20H,3-7,15H2,1-2H3,(H,25,30)/t20-/m0/s1
InChIKeyPQDAXTUAFHCAHJ-FQEVSTJZSA-N
MW413.49 g/mol
LogP3.27
Rot. Bonds7

About N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92632214) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID92632214
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O
InChIInChI=1S/C23H28FN3O3/c1-3-20(16-8-11-18(24)12-9-16)26(2)22(29)15-27-14-17(10-13-21(27)28)23(30)25-19-6-4-5-7-19/h8-14,19-20H,3-7,15H2,1-2H3,(H,25,30)/t20-/m0/s1
InChIKeyPQDAXTUAFHCAHJ-FQEVSTJZSA-N
XLogP3.27
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 110246895
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
CID 92632216
N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 16679393
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 92635958
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246999
N-[2-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]amino]ethyl]-4-fluorobenzamide
CID 95131340
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92635811
N-[1-[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]piperidin-4-yl]-4-fluorobenzamide
CID 92852778
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 92632214) is N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCC2)ccc1=O.
What is the InChIKey of N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is PQDAXTUAFHCAHJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-3-20(16-8-11-18(24)12-9-16)26(2)22(29)15-27-14-17(10-13-21(27)28)23(30)25-19-6-4-5-7-19/h8-14,19-20H,3-7,15H2,1-2H3,(H,25,30)/t20-/m0/s1.
What are the key properties of N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92632214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).