2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C12H13N3OS — CID 112522093

IUPAC2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2cccs2)ccn1
InChIInChI=1S/C12H13N3OS/c13-7-10-6-9(3-4-14-10)12(16)15-8-11-2-1-5-17-11/h1-6H,7-8,13H2,(H,15,16)
InChIKeyWSIMRRNUVPIGNN-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.53
Rot. Bonds4

About 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 112522093) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID112522093
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2cccs2)ccn1
InChIInChI=1S/C12H13N3OS/c13-7-10-6-9(3-4-14-10)12(16)15-8-11-2-1-5-17-11/h1-6H,7-8,13H2,(H,15,16)
InChIKeyWSIMRRNUVPIGNN-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

2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113277765
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
CID 114326336
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
5-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115116726
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821661
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 112522093) is 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is NCc1cc(C(=O)NCc2cccs2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WSIMRRNUVPIGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-7-10-6-9(3-4-14-10)12(16)15-8-11-2-1-5-17-11/h1-6H,7-8,13H2,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-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 2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 112522093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).