[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate

C18H17FN2O3 — CID 87257900

IUPAC[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate
SMILESO=CO[C@@H]1CC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C18H17FN2O3/c19-14-3-1-2-12(8-14)17-7-4-13(10-20-17)18(23)21-15-5-6-16(9-15)24-11-22/h1-4,7-8,10-11,15-16H,5-6,9H2,(H,21,23)/t15-,16+/m0/s1
InChIKeyLXJOQQZWRNFCBB-JKSUJKDBSA-N
MW328.34 g/mol
LogP2.71
Rot. Bonds5

About [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate

[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate (PubChem CID 87257900) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate.

Molecular Properties

Compound Name[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate
PubChem CID87257900
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate
SMILESO=CO[C@@H]1CC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C18H17FN2O3/c19-14-3-1-2-12(8-14)17-7-4-13(10-20-17)18(23)21-15-5-6-16(9-15)24-11-22/h1-4,7-8,10-11,15-16H,5-6,9H2,(H,21,23)/t15-,16+/m0/s1
InChIKeyLXJOQQZWRNFCBB-JKSUJKDBSA-N
XLogP2.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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
6-(3-fluorophenyl)-N-[(1R,3S)-3-(4-hydroxypiperidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91031311
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
N-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
tert-butyl N-[(1S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 143913711
N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401581
6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 67070330
3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67070085
6-(3-fluorophenyl)-N-[(1R,3S)-3-(piperidin-4-ylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 59401449
6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperidin-4-ylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 68509981
6-(3-fluorophenyl)-N-[(1R,3S)-3-[2-(methylamino)ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 59401603

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate?
The IUPAC name of [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate (CID 87257900) is [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate.
What is the SMILES notation for [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate?
The canonical SMILES for [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate is O=CO[C@@H]1CC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1.
What is the InChIKey of [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate?
The InChIKey is LXJOQQZWRNFCBB-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-3-1-2-12(8-14)17-7-4-13(10-20-17)18(23)21-15-5-6-16(9-15)24-11-22/h1-4,7-8,10-11,15-16H,5-6,9H2,(H,21,23)/t15-,16+/m0/s1.
What are the key properties of [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate?
[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate has a molecular weight of 328.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate is sourced from PubChem (CID 87257900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).