3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide

C19H24N4O2S — CID 175655045

IUPAC3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESC=C(C)C(=O)N1CCC(C)(c2ccc3c(N)c(C(=O)NC)sc3n2)CC1
InChIInChI=1S/C19H24N4O2S/c1-11(2)18(25)23-9-7-19(3,8-10-23)13-6-5-12-14(20)15(16(24)21-4)26-17(12)22-13/h5-6H,1,7-10,20H2,2-4H3,(H,21,24)
InChIKeyHCNDIVYHLINDPB-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.69
Rot. Bonds3

About 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 175655045) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID175655045
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESC=C(C)C(=O)N1CCC(C)(c2ccc3c(N)c(C(=O)NC)sc3n2)CC1
InChIInChI=1S/C19H24N4O2S/c1-11(2)18(25)23-9-7-19(3,8-10-23)13-6-5-12-14(20)15(16(24)21-4)26-17(12)22-13/h5-6H,1,7-10,20H2,2-4H3,(H,21,24)
InChIKeyHCNDIVYHLINDPB-UHFFFAOYSA-N
XLogP2.69
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 175655045) is 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide is C=C(C)C(=O)N1CCC(C)(c2ccc3c(N)c(C(=O)NC)sc3n2)CC1.
What is the InChIKey of 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HCNDIVYHLINDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-11(2)18(25)23-9-7-19(3,8-10-23)13-6-5-12-14(20)15(16(24)21-4)26-17(12)22-13/h5-6H,1,7-10,20H2,2-4H3,(H,21,24).
What are the key properties of 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 175655045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).