6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide

C23H27FN4O2 — CID 70942254

IUPAC6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H27FN4O2/c24-19-5-1-3-16(13-19)21-8-7-18(15-26-21)22(29)27-20-6-2-4-17(14-20)23(30)28-11-9-25-10-12-28/h1,3,5,7-8,13,15,17,20,25H,2,4,6,9-12,14H2,(H,27,29)/t17-,20+/m1/s1
InChIKeyANCYNRRTJKWBHE-XLIONFOSSA-N
MW410.49 g/mol
LogP2.61
Rot. Bonds4

About 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 70942254) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID70942254
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H27FN4O2/c24-19-5-1-3-16(13-19)21-8-7-18(15-26-21)22(29)27-20-6-2-4-17(14-20)23(30)28-11-9-25-10-12-28/h1,3,5,7-8,13,15,17,20,25H,2,4,6,9-12,14H2,(H,27,29)/t17-,20+/m1/s1
InChIKeyANCYNRRTJKWBHE-XLIONFOSSA-N
XLogP2.61
TPSA74.33 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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 67070330
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-(4-hydroxypiperidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91031311
N-[(1R,3S)-3-(4-aminopiperidine-1-carbonyl)cyclopentyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401581
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
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-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
6-(3-fluorophenyl)-N-[(1R,3S)-3-[2-(methylamino)ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 59401603
tert-butyl N-[(1S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 143913711
6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 68507339

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide (CID 70942254) is 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide is O=C(N[C@H]1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is ANCYNRRTJKWBHE-XLIONFOSSA-N. The full InChI is InChI=1S/C23H27FN4O2/c24-19-5-1-3-16(13-19)21-8-7-18(15-26-21)22(29)27-20-6-2-4-17(14-20)23(30)28-11-9-25-10-12-28/h1,3,5,7-8,13,15,17,20,25H,2,4,6,9-12,14H2,(H,27,29)/t17-,20+/m1/s1.
What are the key properties of 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 70942254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).