3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide

C15H11BrFN3O — CID 107518153

IUPAC3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1ncccc1Br)c1ccccc1F
InChIInChI=1S/C15H11BrFN3O/c16-11-5-3-9-19-14(11)15(21)20(10-4-8-18)13-7-2-1-6-12(13)17/h1-3,5-7,9H,4,10H2
InChIKeyTZCNFHRULXUQCN-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.54
Rot. Bonds4

About 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide

3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 107518153) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID107518153
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC Name3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1ncccc1Br)c1ccccc1F
InChIInChI=1S/C15H11BrFN3O/c16-11-5-3-9-19-14(11)15(21)20(10-4-8-18)13-7-2-1-6-12(13)17/h1-3,5-7,9H,4,10H2
InChIKeyTZCNFHRULXUQCN-UHFFFAOYSA-N
XLogP3.54
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 107517439
N-(2-aminophenyl)-3-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 107516864
3-bromo-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 107517745
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
CID 107517449
2-(4-bromo-2-chlorophenoxy)-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 7809639
2-(4-bromophenyl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide
CID 8621209
[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 46508714
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 35721181
[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 35697230
2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
CID 115678772
N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7499608
2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid
CID 107517015

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide (CID 107518153) is 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide is N#CCCN(C(=O)c1ncccc1Br)c1ccccc1F.
What is the InChIKey of 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is TZCNFHRULXUQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c16-11-5-3-9-19-14(11)15(21)20(10-4-8-18)13-7-2-1-6-12(13)17/h1-3,5-7,9H,4,10H2.
What are the key properties of 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide?
3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 348.18 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyanoethyl)-N-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107518153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).