N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C23H27FN4O2 — CID 59401581

IUPACN-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESNC1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)c3ccc(-c4cccc(F)c4)nc3)C2)CC1
InChIInChI=1S/C23H27FN4O2/c24-18-3-1-2-15(12-18)21-7-5-17(14-26-21)22(29)27-20-6-4-16(13-20)23(30)28-10-8-19(25)9-11-28/h1-3,5,7,12,14,16,19-20H,4,6,8-11,13,25H2,(H,27,29)/t16-,20+/m0/s1
InChIKeyXBZXPPXTIZZNIO-OXJNMPFZSA-N
MW410.49 g/mol
LogP2.74
Rot. Bonds4

About N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 59401581) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID59401581
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESNC1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)c3ccc(-c4cccc(F)c4)nc3)C2)CC1
InChIInChI=1S/C23H27FN4O2/c24-18-3-1-2-15(12-18)21-7-5-17(14-26-21)22(29)27-20-6-4-16(13-20)23(30)28-10-8-19(25)9-11-28/h1-3,5,7,12,14,16,19-20H,4,6,8-11,13,25H2,(H,27,29)/t16-,20+/m0/s1
InChIKeyXBZXPPXTIZZNIO-OXJNMPFZSA-N
XLogP2.74
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluorophenyl)-N-[(1R,3S)-3-(4-hydroxypiperidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91031311
6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 67070330
6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 70942254
N-[(1S,3R)-3-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 68508856
N-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate
CID 87257900
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59401403
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
tert-butyl N-[(1S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 143913711
benzyl (2S)-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexanecarbonyl]-2-methylpiperazine-1-carboxylate
CID 67070345
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 59401581) is N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide is NC1CCN(C(=O)[C@H]2CC[C@@H](NC(=O)c3ccc(-c4cccc(F)c4)nc3)C2)CC1.
What is the InChIKey of N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is XBZXPPXTIZZNIO-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H27FN4O2/c24-18-3-1-2-15(12-18)21-7-5-17(14-26-21)22(29)27-20-6-4-16(13-20)23(30)28-10-8-19(25)9-11-28/h1-3,5,7,12,14,16,19-20H,4,6,8-11,13,25H2,(H,27,29)/t16-,20+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 59401581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).