5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C14H12BrFN2O — CID 2449849

IUPAC5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cncc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9(10-2-4-13(16)5-3-10)18-14(19)11-6-12(15)8-17-7-11/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyCKAWXZKBMTYOKT-VIFPVBQESA-N
MW323.17 g/mol
LogP3.47
Rot. Bonds3

About 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 2449849) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID2449849
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cncc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O/c1-9(10-2-4-13(16)5-3-10)18-14(19)11-6-12(15)8-17-7-11/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyCKAWXZKBMTYOKT-VIFPVBQESA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990
5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 8962937
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
3,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107980230
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 2449849) is 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is CKAWXZKBMTYOKT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-9(10-2-4-13(16)5-3-10)18-14(19)11-6-12(15)8-17-7-11/h2-9H,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 323.17 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2449849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).