6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide

C24H28FN3O3 — CID 67070330

IUPAC6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCC(C(=O)N2CCC(O)CC2)C1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H28FN3O3/c25-19-5-1-3-16(13-19)22-8-7-18(15-26-22)23(30)27-20-6-2-4-17(14-20)24(31)28-11-9-21(29)10-12-28/h1,3,5,7-8,13,15,17,20-21,29H,2,4,6,9-12,14H2,(H,27,30)
InChIKeyIIVYSEBFZSWGCU-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.16
Rot. Bonds4

About 6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 67070330) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID67070330
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCC(C(=O)N2CCC(O)CC2)C1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H28FN3O3/c25-19-5-1-3-16(13-19)22-8-7-18(15-26-22)23(30)27-20-6-2-4-17(14-20)24(31)28-11-9-21(29)10-12-28/h1,3,5,7-8,13,15,17,20-21,29H,2,4,6,9-12,14H2,(H,27,30)
InChIKeyIIVYSEBFZSWGCU-UHFFFAOYSA-N
XLogP3.16
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.16
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-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 70942254
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
6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperidin-4-ylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 68509981
6-(3-fluorophenyl)-N-[(1R,3S)-3-(piperidin-4-ylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 59401449
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-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide (CID 67070330) is 6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCCC(C(=O)N2CCC(O)CC2)C1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is IIVYSEBFZSWGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-19-5-1-3-16(13-19)22-8-7-18(15-26-22)23(30)27-20-6-2-4-17(14-20)24(31)28-11-9-21(29)10-12-28/h1,3,5,7-8,13,15,17,20-21,29H,2,4,6,9-12,14H2,(H,27,30).
What are the key properties of 6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.16, 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-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 67070330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).