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

C12H12BrN3OS — CID 115117022

IUPAC4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESNCc1ccnc(C(=O)NCc2ccc(Br)s2)c1
InChIInChI=1S/C12H12BrN3OS/c13-11-2-1-9(18-11)7-16-12(17)10-5-8(6-14)3-4-15-10/h1-5H,6-7,14H2,(H,16,17)
InChIKeyFSRNXHZWHXZZDL-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.29
Rot. Bonds4

About 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide

4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 115117022) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
PubChem CID115117022
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESNCc1ccnc(C(=O)NCc2ccc(Br)s2)c1
InChIInChI=1S/C12H12BrN3OS/c13-11-2-1-9(18-11)7-16-12(17)10-5-8(6-14)3-4-15-10/h1-5H,6-7,14H2,(H,16,17)
InChIKeyFSRNXHZWHXZZDL-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

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Related Compounds

5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115116731
2-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66377859
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
N-[(5-bromothiophen-2-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378352
N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 33295313
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[(5-bromothiophen-2-yl)methyl]-2,6-dichloropyridine-4-carboxamide
CID 32778548
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide
CID 63900504
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide (CID 115117022) is 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide is NCc1ccnc(C(=O)NCc2ccc(Br)s2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FSRNXHZWHXZZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c13-11-2-1-9(18-11)7-16-12(17)10-5-8(6-14)3-4-15-10/h1-5H,6-7,14H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide?
4-(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 4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115117022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).