(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C15H17N3OS — CID 114413665

IUPAC(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1cc2sc(C(=O)N3CC=CCC3)c(N)c2c(C)n1
InChIInChI=1S/C15H17N3OS/c1-9-8-11-12(10(2)17-9)13(16)14(20-11)15(19)18-6-4-3-5-7-18/h3-4,8H,5-7,16H2,1-2H3
InChIKeyKDYBEAXCAISQLD-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.90
Rot. Bonds1

About (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114413665) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114413665
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1cc2sc(C(=O)N3CC=CCC3)c(N)c2c(C)n1
InChIInChI=1S/C15H17N3OS/c1-9-8-11-12(10(2)17-9)13(16)14(20-11)15(19)18-6-4-3-5-7-18/h3-4,8H,5-7,16H2,1-2H3
InChIKeyKDYBEAXCAISQLD-UHFFFAOYSA-N
XLogP2.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone 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-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 81036363
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408882
(3-amino-4-bromo-1-benzothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114889371
3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide
CID 81036761
3-amino-4,6-dimethyl-N-pentan-2-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81053012
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 81035171
3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide
CID 81052779
3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide
CID 81053330
2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate
CID 83206282
3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 81038185
3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052702
3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052861

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114413665) is (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1cc2sc(C(=O)N3CC=CCC3)c(N)c2c(C)n1.
What is the InChIKey of (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is KDYBEAXCAISQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-8-11-12(10(2)17-9)13(16)14(20-11)15(19)18-6-4-3-5-7-18/h3-4,8H,5-7,16H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylthieno[3,2-c]pyridin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114413665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).