3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide

C11H11N3OS — CID 91071106

IUPAC3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sccc1NCc1ccncc1
InChIInChI=1S/C11H11N3OS/c12-11(15)10-9(3-6-16-10)14-7-8-1-4-13-5-2-8/h1-6,14H,7H2,(H2,12,15)
InChIKeyIOLRKXNJMVASDX-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.85
Rot. Bonds4

About 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide

3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide (PubChem CID 91071106) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
PubChem CID91071106
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sccc1NCc1ccncc1
InChIInChI=1S/C11H11N3OS/c12-11(15)10-9(3-6-16-10)14-7-8-1-4-13-5-2-8/h1-6,14H,7H2,(H2,12,15)
InChIKeyIOLRKXNJMVASDX-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 17221138
3-[(3,4-dichlorophenyl)methylamino]thiophene-2-carboxylic acid
CID 54757812
methyl 3-[(4-methoxyphenyl)methylamino]thiophene-2-carboxylate
CID 59702062
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
5-acetyl-4-amino-2-(pyridin-4-ylmethylamino)thiophene-3-carboxamide
CID 103426726
methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
CID 43623574
N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
ethane;pyridin-4-ylmethylurea
CID 144877282
N-(2-carbamoylthiophen-3-yl)pyridine-2-carboxamide
CID 45086793

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide (CID 91071106) is 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide is NC(=O)c1sccc1NCc1ccncc1.
What is the InChIKey of 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is IOLRKXNJMVASDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-11(15)10-9(3-6-16-10)14-7-8-1-4-13-5-2-8/h1-6,14H,7H2,(H2,12,15).
What are the key properties of 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide?
3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 91071106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).