6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide

C22H26FN3O3 — CID 68507339

IUPAC6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)C1CCCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C22H26FN3O3/c1-14(13-27)25-21(28)16-5-3-7-19(11-16)26-22(29)17-8-9-20(24-12-17)15-4-2-6-18(23)10-15/h2,4,6,8-10,12,14,16,19,27H,3,5,7,11,13H2,1H3,(H,25,28)(H,26,29)/t14-,16?,19?/m1/s1
InChIKeyXTFKPTKUNHGDAT-ICXUMSERSA-N
MW399.47 g/mol
LogP2.67
Rot. Bonds6

About 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 68507339) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID68507339
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)C1CCCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C22H26FN3O3/c1-14(13-27)25-21(28)16-5-3-7-19(11-16)26-22(29)17-8-9-20(24-12-17)15-4-2-6-18(23)10-15/h2,4,6,8-10,12,14,16,19,27H,3,5,7,11,13H2,1H3,(H,25,28)(H,26,29)/t14-,16?,19?/m1/s1
InChIKeyXTFKPTKUNHGDAT-ICXUMSERSA-N
XLogP2.67
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
6-(3-fluorophenyl)-N-[(1R,3S)-3-[2-(methylamino)ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 59401603
6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59401403
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
N-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 67070330
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-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 70942254
tert-butyl N-[(1S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 143913711
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide (CID 68507339) is 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide is C[C@H](CO)NC(=O)C1CCCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is XTFKPTKUNHGDAT-ICXUMSERSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-14(13-27)25-21(28)16-5-3-7-19(11-16)26-22(29)17-8-9-20(24-12-17)15-4-2-6-18(23)10-15/h2,4,6,8-10,12,14,16,19,27H,3,5,7,11,13H2,1H3,(H,25,28)(H,26,29)/t14-,16?,19?/m1/s1.
What are the key properties of 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 68507339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).