5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide

C12H12BrN3OS — CID 115116731

IUPAC5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NCc2ccc(Br)s2)nc1
InChIInChI=1S/C12H12BrN3OS/c13-11-4-2-9(18-11)7-16-12(17)10-3-1-8(5-14)6-15-10/h1-4,6H,5,7,14H2,(H,16,17)
InChIKeyPBWXPCPLOOLKIX-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.29
Rot. Bonds4

About 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide

5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 115116731) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
PubChem CID115116731
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NCc2ccc(Br)s2)nc1
InChIInChI=1S/C12H12BrN3OS/c13-11-4-2-9(18-11)7-16-12(17)10-3-1-8(5-14)6-15-10/h1-4,6H,5,7,14H2,(H,16,17)
InChIKeyPBWXPCPLOOLKIX-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115117022
5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115116726
N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378352
N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 33295313
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
2-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66377859
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358
5-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62958487
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390
5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide (CID 115116731) is 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide is NCc1ccc(C(=O)NCc2ccc(Br)s2)nc1.
What is the InChIKey of 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is PBWXPCPLOOLKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c13-11-4-2-9(18-11)7-16-12(17)10-3-1-8(5-14)6-15-10/h1-4,6H,5,7,14H2,(H,16,17).
What are the key properties of 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide?
5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115116731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).