5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide

C14H14BrN3OS — CID 47243449

IUPAC5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)c1csc(Br)c1
InChIInChI=1S/C14H14BrN3OS/c15-12-8-10(9-20-12)14(19)17-11-4-3-5-16-13(11)18-6-1-2-7-18/h3-5,8-9H,1-2,6-7H2,(H,17,19)
InChIKeyBSSDSXGCYXNRSO-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.76
Rot. Bonds3

About 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide

5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide (PubChem CID 47243449) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
PubChem CID47243449
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCCC1)c1csc(Br)c1
InChIInChI=1S/C14H14BrN3OS/c15-12-8-10(9-20-12)14(19)17-11-4-3-5-16-13(11)18-6-1-2-7-18/h3-5,8-9H,1-2,6-7H2,(H,17,19)
InChIKeyBSSDSXGCYXNRSO-UHFFFAOYSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
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5-bromo-N-pyridin-2-ylthiophene-3-carboxamide
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5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
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5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
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CID 55981480
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
5-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
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2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
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2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide (CID 47243449) is 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide is O=C(Nc1cccnc1N1CCCC1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide?
The InChIKey is BSSDSXGCYXNRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c15-12-8-10(9-20-12)14(19)17-11-4-3-5-16-13(11)18-6-1-2-7-18/h3-5,8-9H,1-2,6-7H2,(H,17,19).
What are the key properties of 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide?
5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide has a molecular weight of 352.26 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 47243449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).