N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide

C18H19FN2O2 — CID 110016699

IUPACN-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NC(c1cccc(F)c1)c1ccccn1)C1CCCC1O
InChIInChI=1S/C18H19FN2O2/c19-13-6-3-5-12(11-13)17(15-8-1-2-10-20-15)21-18(23)14-7-4-9-16(14)22/h1-3,5-6,8,10-11,14,16-17,22H,4,7,9H2,(H,21,23)
InChIKeyKJQIREUJGNBXDV-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.59
Rot. Bonds4

About N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide

N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110016699) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110016699
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NC(c1cccc(F)c1)c1ccccn1)C1CCCC1O
InChIInChI=1S/C18H19FN2O2/c19-13-6-3-5-12(11-13)17(15-8-1-2-10-20-15)21-18(23)14-7-4-9-16(14)22/h1-3,5-6,8,10-11,14,16-17,22H,4,7,9H2,(H,21,23)
InChIKeyKJQIREUJGNBXDV-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122008448
1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008446
trans-(1S,2S)-2-(4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 36951570
1-[2-(3-fluorophenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 175466223
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
2-oxo-N-[phenyl(pyridin-2-yl)methyl]imidazolidine-4-carboxamide
CID 167790880
1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
2-amino-N-[(1R)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407618

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide (CID 110016699) is N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide is O=C(NC(c1cccc(F)c1)c1ccccn1)C1CCCC1O.
What is the InChIKey of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is KJQIREUJGNBXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-13-6-3-5-12(11-13)17(15-8-1-2-10-20-15)21-18(23)14-7-4-9-16(14)22/h1-3,5-6,8,10-11,14,16-17,22H,4,7,9H2,(H,21,23).
What are the key properties of N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide?
N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110016699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).