5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide

C15H11BrN2OS2 — CID 121021406

IUPAC5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccsc1)c1cccs1)c1cncc(Br)c1
InChIInChI=1S/C15H11BrN2OS2/c16-12-6-11(7-17-8-12)15(19)18-14(10-3-5-20-9-10)13-2-1-4-21-13/h1-9,14H,(H,18,19)
InChIKeyPKYKGQTUYDWLTH-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.49
Rot. Bonds4

About 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide

5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 121021406) has the molecular formula C15H11BrN2OS2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide
PubChem CID121021406
Molecular FormulaC15H11BrN2OS2
Molecular Weight379.30 g/mol
Exact Mass377.95
IUPAC Name5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1ccsc1)c1cccs1)c1cncc(Br)c1
InChIInChI=1S/C15H11BrN2OS2/c16-12-6-11(7-17-8-12)15(19)18-14(10-3-5-20-9-10)13-2-1-4-21-13/h1-9,14H,(H,18,19)
InChIKeyPKYKGQTUYDWLTH-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 121021382
3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 119104238
N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 121021387
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
CID 129355017
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
2-cyclopropyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 119104241
2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354524
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 31709977

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide (CID 121021406) is 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide is O=C(NC(c1ccsc1)c1cccs1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is PKYKGQTUYDWLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS2/c16-12-6-11(7-17-8-12)15(19)18-14(10-3-5-20-9-10)13-2-1-4-21-13/h1-9,14H,(H,18,19).
What are the key properties of 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide?
5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[thiophen-2-yl(thiophen-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 121021406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).