N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide

C20H23FN2O2 — CID 96568791

IUPACN-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)N[C@@H](c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C20H23FN2O2/c21-17-8-6-15(7-9-17)19(16-5-4-12-22-14-16)23-18(24)13-20(25)10-2-1-3-11-20/h4-9,12,14,19,25H,1-3,10-11,13H2,(H,23,24)/t19-/m0/s1
InChIKeyKLIXICNUSCBURX-IBGZPJMESA-N
MW342.41 g/mol
LogP3.51
Rot. Bonds5

About N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide

N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 96568791) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID96568791
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESO=C(CC1(O)CCCCC1)N[C@@H](c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C20H23FN2O2/c21-17-8-6-15(7-9-17)19(16-5-4-12-22-14-16)23-18(24)13-20(25)10-2-1-3-11-20/h4-9,12,14,19,25H,1-3,10-11,13H2,(H,23,24)/t19-/m0/s1
InChIKeyKLIXICNUSCBURX-IBGZPJMESA-N
XLogP3.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(4-hydroxyphenyl)acetamide
CID 75380343
2-(1-aminocyclohexyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404106
1-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529002
1-[2-oxo-2-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]cyclohexane-1-carboxylic acid
CID 78980760
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 104678520
3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
CID 125167685
2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538742
N-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide;quinoline
CID 145078393
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111432741
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
2-[1-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]cyclopentyl]acetic acid
CID 81392956

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide (CID 96568791) is N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide is O=C(CC1(O)CCCCC1)N[C@@H](c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is KLIXICNUSCBURX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-8-6-15(7-9-17)19(16-5-4-12-22-14-16)23-18(24)13-20(25)10-2-1-3-11-20/h4-9,12,14,19,25H,1-3,10-11,13H2,(H,23,24)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 96568791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).