N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide

C13H10BrN3OS — CID 115116565

IUPACN-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide
SMILESN#Cc1cccc(C(=O)NCCc2cc(Br)cs2)n1
InChIInChI=1S/C13H10BrN3OS/c14-9-6-11(19-8-9)4-5-16-13(18)12-3-1-2-10(7-15)17-12/h1-3,6,8H,4-5H2,(H,16,18)
InChIKeyQSKVWZRREWRLGU-UHFFFAOYSA-N
MW336.21 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide

N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide (PubChem CID 115116565) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide
PubChem CID115116565
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC NameN-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide
SMILESN#Cc1cccc(C(=O)NCCc2cc(Br)cs2)n1
InChIInChI=1S/C13H10BrN3OS/c14-9-6-11(19-8-9)4-5-16-13(18)12-3-1-2-10(7-15)17-12/h1-3,6,8H,4-5H2,(H,16,18)
InChIKeyQSKVWZRREWRLGU-UHFFFAOYSA-N
XLogP2.75
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 115116559
N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
CID 115116512
6-cyano-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 115116575
N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
CID 115193942
4-amino-N-[2-(4-bromothiophen-2-yl)ethyl]benzamide
CID 115161035
6-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 115116521
6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 115116507
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294
3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide
CID 115155059
N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide (CID 115116565) is N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide is N#Cc1cccc(C(=O)NCCc2cc(Br)cs2)n1.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide?
The InChIKey is QSKVWZRREWRLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c14-9-6-11(19-8-9)4-5-16-13(18)12-3-1-2-10(7-15)17-12/h1-3,6,8H,4-5H2,(H,16,18).
What are the key properties of N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide?
N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide is sourced from PubChem (CID 115116565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).