6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide

C20H22FN3O3 — CID 59401403

IUPAC6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(CO)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C20H22FN3O3/c21-15-4-1-3-13(9-15)18-8-7-14(11-22-18)20(27)24-17-6-2-5-16(10-17)23-19(26)12-25/h1,3-4,7-9,11,16-17,25H,2,5-6,10,12H2,(H,23,26)(H,24,27)/t16-,17-/m0/s1
InChIKeyGPDDTLCEDDJHJG-IRXDYDNUSA-N
MW371.41 g/mol
LogP2.04
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide (PubChem CID 59401403) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
PubChem CID59401403
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(CO)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1
InChIInChI=1S/C20H22FN3O3/c21-15-4-1-3-13(9-15)18-8-7-14(11-22-18)20(27)24-17-6-2-5-16(10-17)23-19(26)12-25/h1,3-4,7-9,11,16-17,25H,2,5-6,10,12H2,(H,23,26)(H,24,27)/t16-,17-/m0/s1
InChIKeyGPDDTLCEDDJHJG-IRXDYDNUSA-N
XLogP2.04
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
N-cyclohexyl-2-hydroxyacetamide;6-(3-fluorophenyl)pyridine-3-carboxamide
CID 143913622
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
6-(3-fluorophenyl)-N-[(1R,3S)-3-[2-(methylamino)ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 59401603
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-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 70942254
[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate
CID 87257900
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide (CID 59401403) is 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide is O=C(CO)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is GPDDTLCEDDJHJG-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-15-4-1-3-13(9-15)18-8-7-14(11-22-18)20(27)24-17-6-2-5-16(10-17)23-19(26)12-25/h1,3-4,7-9,11,16-17,25H,2,5-6,10,12H2,(H,23,26)(H,24,27)/t16-,17-/m0/s1.
What are the key properties of 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 59401403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).