2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid

C20H21FN2O3 — CID 122056065

IUPAC2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1
InChIInChI=1S/C20H21FN2O3/c21-16-5-3-4-14(12-16)9-11-23(17-6-1-2-7-17)19(24)18-13-15(20(25)26)8-10-22-18/h3-5,8,10,12-13,17H,1-2,6-7,9,11H2,(H,25,26)
InChIKeyYENGLSXISUTBER-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.55
Rot. Bonds6

About 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid

2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122056065) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
PubChem CID122056065
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1
InChIInChI=1S/C20H21FN2O3/c21-16-5-3-4-14(12-16)9-11-23(17-6-1-2-7-17)19(24)18-13-15(20(25)26)8-10-22-18/h3-5,8,10,12-13,17H,1-2,6-7,9,11H2,(H,25,26)
InChIKeyYENGLSXISUTBER-UHFFFAOYSA-N
XLogP3.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639014
N-cyclopentyl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86927162
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119821577
[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 69165945
4-[[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024382
2-N-cyclohexyl-2-N-(2-phenylethyl)pyrazine-2,5-dicarboxamide
CID 137338224
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 67338341
2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 146138168
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120611880
2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055290

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid (CID 122056065) is 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1.
What is the InChIKey of 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is YENGLSXISUTBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-16-5-3-4-14(12-16)9-11-23(17-6-1-2-7-17)19(24)18-13-15(20(25)26)8-10-22-18/h3-5,8,10,12-13,17H,1-2,6-7,9,11H2,(H,25,26).
What are the key properties of 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid?
2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 356.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).