5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

C12H13N3OS — CID 115116726

IUPAC5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NCc2cccs2)nc1
InChIInChI=1S/C12H13N3OS/c13-6-9-3-4-11(14-7-9)12(16)15-8-10-2-1-5-17-10/h1-5,7H,6,8,13H2,(H,15,16)
InChIKeyIKJAIROXGIRURL-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.53
Rot. Bonds4

About 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 115116726) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID115116726
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NCc2cccs2)nc1
InChIInChI=1S/C12H13N3OS/c13-6-9-3-4-11(14-7-9)12(16)15-8-10-2-1-5-17-10/h1-5,7H,6,8,13H2,(H,15,16)
InChIKeyIKJAIROXGIRURL-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
5-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 115116731
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
2-amino-5-chloro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 114922128
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 115116726) is 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is NCc1ccc(C(=O)NCc2cccs2)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is IKJAIROXGIRURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-6-9-3-4-11(14-7-9)12(16)15-8-10-2-1-5-17-10/h1-5,7H,6,8,13H2,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115116726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).