N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide

C23H27ClFN3O4 — CID 138626643

IUPACN-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCCC(O)C1(NC(=O)c2ccccn2)CCCCC1
InChIInChI=1S/C23H27ClFN3O4/c24-17-8-7-16(14-18(17)25)32-15-21(30)27-13-9-20(29)23(10-3-1-4-11-23)28-22(31)19-6-2-5-12-26-19/h2,5-8,12,14,20,29H,1,3-4,9-11,13,15H2,(H,27,30)(H,28,31)
InChIKeyWIERVJUZZYAHPR-UHFFFAOYSA-N
MW463.94 g/mol
LogP3.25
Rot. Bonds9

About N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide

N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 138626643) has the molecular formula C23H27ClFN3O4 and a molecular weight of 463.94 g/mol. Its IUPAC name is N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide
PubChem CID138626643
Molecular FormulaC23H27ClFN3O4
Molecular Weight463.94 g/mol
Exact Mass463.17
IUPAC NameN-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCCC(O)C1(NC(=O)c2ccccn2)CCCCC1
InChIInChI=1S/C23H27ClFN3O4/c24-17-8-7-16(14-18(17)25)32-15-21(30)27-13-9-20(29)23(10-3-1-4-11-23)28-22(31)19-6-2-5-12-26-19/h2,5-8,12,14,20,29H,1,3-4,9-11,13,15H2,(H,27,30)(H,28,31)
InChIKeyWIERVJUZZYAHPR-UHFFFAOYSA-N
XLogP3.25
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2988519
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)-6-methylpyridine-3-carboxamide
CID 6498662
4-[2-(4-Chloro-phenoxy)-acetylamino]-N-pyridin-3-ylmethyl-benzamide
CID 1150809
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2987774
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2992751
N-(2-{[(4-chlorophenoxy)acetyl]amino}ethyl)-6-methylpyridine-3-carboxamide
CID 6498631
6-chloro-N-(1,3-dihydroxypropan-2-yl)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 87158205
US9980929, Example 69
CID 122521896
US9980929, Example 70
CID 122521944

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide (CID 138626643) is N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide is O=C(COc1ccc(Cl)c(F)c1)NCCC(O)C1(NC(=O)c2ccccn2)CCCCC1.
What is the InChIKey of N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is WIERVJUZZYAHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O4/c24-17-8-7-16(14-18(17)25)32-15-21(30)27-13-9-20(29)23(10-3-1-4-11-23)28-22(31)19-6-2-5-12-26-19/h2,5-8,12,14,20,29H,1,3-4,9-11,13,15H2,(H,27,30)(H,28,31).
What are the key properties of N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide?
N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 3.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-hydroxypropyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 138626643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).