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

C24H30FN3O3 — CID 110246895

IUPACN-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCCC(c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCCC2)ccc1=O
InChIInChI=1S/C24H30FN3O3/c1-3-21(17-9-12-19(25)13-10-17)27(2)23(30)16-28-15-18(11-14-22(28)29)24(31)26-20-7-5-4-6-8-20/h9-15,20-21H,3-8,16H2,1-2H3,(H,26,31)
InChIKeyPIESEQXXOSPKGK-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.66
Rot. Bonds7

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

N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 110246895) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID110246895
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC NameN-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCCC(c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCCC2)ccc1=O
InChIInChI=1S/C24H30FN3O3/c1-3-21(17-9-12-19(25)13-10-17)27(2)23(30)16-28-15-18(11-14-22(28)29)24(31)26-20-7-5-4-6-8-20/h9-15,20-21H,3-8,16H2,1-2H3,(H,26,31)
InChIKeyPIESEQXXOSPKGK-UHFFFAOYSA-N
XLogP3.66
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-[2-[[(1S)-1-(4-fluorophenyl)propyl]-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92632214
N-[(1S)-1-(4-fluorophenyl)propyl]-N-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92635682
N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 16679393
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
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246999
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688308
N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92635811
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92634610
1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-N-(4-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 92635958
N-cyclohexyl-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91945533

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 110246895) is N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is CCC(c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCCC2)ccc1=O.
What is the InChIKey of N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is PIESEQXXOSPKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-3-21(17-9-12-19(25)13-10-17)27(2)23(30)16-28-15-18(11-14-22(28)29)24(31)26-20-7-5-4-6-8-20/h9-15,20-21H,3-8,16H2,1-2H3,(H,26,31).
What are the key properties of N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-[1-(4-fluorophenyl)propyl-methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110246895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).