N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide

C26H32FN3O2 — CID 92636902

IUPACN-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide
SMILESCC(C)(C(=O)N1CCC[C@H](c2ccc(C(=O)NC3CCCC3)cn2)C1)c1ccc(F)cc1
InChIInChI=1S/C26H32FN3O2/c1-26(2,20-10-12-21(27)13-11-20)25(32)30-15-5-6-19(17-30)23-14-9-18(16-28-23)24(31)29-22-7-3-4-8-22/h9-14,16,19,22H,3-8,15,17H2,1-2H3,(H,29,31)/t19-/m0/s1
InChIKeyRUTYNTIDVLFVRZ-IBGZPJMESA-N
MW437.56 g/mol
LogP4.58
Rot. Bonds5

About N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide

N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 92636902) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide
PubChem CID92636902
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC NameN-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide
SMILESCC(C)(C(=O)N1CCC[C@H](c2ccc(C(=O)NC3CCCC3)cn2)C1)c1ccc(F)cc1
InChIInChI=1S/C26H32FN3O2/c1-26(2,20-10-12-21(27)13-11-20)25(32)30-15-5-6-19(17-30)23-14-9-18(16-28-23)24(31)29-22-7-3-4-8-22/h9-14,16,19,22H,3-8,15,17H2,1-2H3,(H,29,31)/t19-/m0/s1
InChIKeyRUTYNTIDVLFVRZ-IBGZPJMESA-N
XLogP4.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621989
N-[(4S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634952
N-[5-[(3R)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanesulfonamide
CID 97343192
2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474
2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 92633437
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264257
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
2-methyl-2-(4-methylphenyl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 110114958
6-[(3S)-1-acetylpiperidin-3-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 95825978
6-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110264404
6-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 110264285

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide (CID 92636902) is N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide is CC(C)(C(=O)N1CCC[C@H](c2ccc(C(=O)NC3CCCC3)cn2)C1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is RUTYNTIDVLFVRZ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-26(2,20-10-12-21(27)13-11-20)25(32)30-15-5-6-19(17-30)23-14-9-18(16-28-23)24(31)29-22-7-3-4-8-22/h9-14,16,19,22H,3-8,15,17H2,1-2H3,(H,29,31)/t19-/m0/s1.
What are the key properties of N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide?
N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 437.56 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[(3S)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92636902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).