5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide

C18H18BrFN2O — CID 55746088

IUPAC5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)c1cncc(Br)c1
InChIInChI=1S/C18H18BrFN2O/c19-15-9-13(10-21-11-15)17(23)22-12-18(7-1-2-8-18)14-3-5-16(20)6-4-14/h3-6,9-11H,1-2,7-8,12H2,(H,22,23)
InChIKeyBOTNMLYLPPPLKF-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.22
Rot. Bonds4

About 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide

5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide (PubChem CID 55746088) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
PubChem CID55746088
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)c1cncc(Br)c1
InChIInChI=1S/C18H18BrFN2O/c19-15-9-13(10-21-11-15)17(23)22-12-18(7-1-2-8-18)14-3-5-16(20)6-4-14/h3-6,9-11H,1-2,7-8,12H2,(H,22,23)
InChIKeyBOTNMLYLPPPLKF-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
2-[1-[[(5-bromopyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163589
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide
CID 103991115
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999
2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide
CID 60555860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide (CID 55746088) is 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide?
The InChIKey is BOTNMLYLPPPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c19-15-9-13(10-21-11-15)17(23)22-12-18(7-1-2-8-18)14-3-5-16(20)6-4-14/h3-6,9-11H,1-2,7-8,12H2,(H,22,23).
What are the key properties of 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide?
5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide has a molecular weight of 377.26 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55746088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).