3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide

C13H15N3O2S — CID 115457149

IUPAC3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCC2(CO)CC2)sc2ncccc12
InChIInChI=1S/C13H15N3O2S/c14-9-8-2-1-5-15-12(8)19-10(9)11(18)16-6-13(7-17)3-4-13/h1-2,5,17H,3-4,6-7,14H2,(H,16,18)
InChIKeyNZCVUVRBXXLKAX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.38
Rot. Bonds4

About 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 115457149) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID115457149
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCC2(CO)CC2)sc2ncccc12
InChIInChI=1S/C13H15N3O2S/c14-9-8-2-1-5-15-12(8)19-10(9)11(18)16-6-13(7-17)3-4-13/h1-2,5,17H,3-4,6-7,14H2,(H,16,18)
InChIKeyNZCVUVRBXXLKAX-UHFFFAOYSA-N
XLogP1.38
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-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

3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
3-Amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 766178
3-amino-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 725544
3-Amino-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide
CID 759785
9-dimethylamino-3-cyclopropyl-3H-5-thia-1,3,6-triazafluoren-4-one
CID 11565466
3-amino-4-[(3S)-3-(methoxymethyl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 11573309
3-Amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 11778213
3-Amino-4-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 69363610
3-Amino-4-(3-methylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 69364466
3-Amino-4-[3-(hydroxymethyl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69365534
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-2-(6-oxo-1H-pyridin-3-yl)-4-(propan-2-ylamino)thieno[2,3-b]pyridine-5-carboxamide
CID 155590271

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 115457149) is 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCC2(CO)CC2)sc2ncccc12.
What is the InChIKey of 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NZCVUVRBXXLKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-9-8-2-1-5-15-12(8)19-10(9)11(18)16-6-13(7-17)3-4-13/h1-2,5,17H,3-4,6-7,14H2,(H,16,18).
What are the key properties of 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 115457149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).