5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide

C11H11N3OS — CID 115735523

IUPAC5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccccn2)c1
InChIInChI=1S/C11H11N3OS/c12-11(15)8-5-9(16-7-8)6-14-10-3-1-2-4-13-10/h1-5,7H,6H2,(H2,12,15)(H,13,14)
InChIKeyKLFKEUOYGBKSIX-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.85
Rot. Bonds4

About 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide

5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide (PubChem CID 115735523) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide
PubChem CID115735523
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2ccccn2)c1
InChIInChI=1S/C11H11N3OS/c12-11(15)8-5-9(16-7-8)6-14-10-3-1-2-4-13-10/h1-5,7H,6H2,(H2,12,15)(H,13,14)
InChIKeyKLFKEUOYGBKSIX-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

Analyze 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(pyridin-2-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79606263
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
5-[[[(S)-cyclopentyl(pyridin-2-yl)methyl]amino]methyl]thiophene-3-carboxamide
CID 97236069
5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79613567
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[(3-ethylanilino)methyl]thiophene-3-carboxamide
CID 79606559
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
5-[[3-(5-methylpyrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 75385201
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581

Frequently Asked Questions

What is the IUPAC name of 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide (CID 115735523) is 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNc2ccccn2)c1.
What is the InChIKey of 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide?
The InChIKey is KLFKEUOYGBKSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-11(15)8-5-9(16-7-8)6-14-10-3-1-2-4-13-10/h1-5,7H,6H2,(H2,12,15)(H,13,14).
What are the key properties of 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide?
5-[(pyridin-2-ylamino)methyl]thiophene-3-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 5-[(pyridin-2-ylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 115735523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).