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

C12H13N3OS — CID 55042664

IUPAC2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cccs2)ccn1
InChIInChI=1S/C12H13N3OS/c1-13-11-7-9(4-5-14-11)12(16)15-8-10-3-2-6-17-10/h2-7H,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyWWMIFZSHSQMOSZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.11
Rot. Bonds4

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

2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 55042664) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID55042664
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cccs2)ccn1
InChIInChI=1S/C12H13N3OS/c1-13-11-7-9(4-5-14-11)12(16)15-8-10-3-2-6-17-10/h2-7H,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyWWMIFZSHSQMOSZ-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
2-(methylamino)-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55204056
2-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185141
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106377305
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62165965

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 55042664) is 2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2cccs2)ccn1.
What is the InChIKey of 2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WWMIFZSHSQMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-13-11-7-9(4-5-14-11)12(16)15-8-10-3-2-6-17-10/h2-7H,8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55042664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).