3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide

C19H29N5O2S — CID 69366065

IUPAC3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)CCCOCC1CCCN(c2ccnc3sc(C(N)=O)c(N)c23)C1
InChIInChI=1S/C19H29N5O2S/c1-23(2)8-4-10-26-12-13-5-3-9-24(11-13)14-6-7-22-19-15(14)16(20)17(27-19)18(21)25/h6-7,13H,3-5,8-12,20H2,1-2H3,(H2,21,25)
InChIKeyLUNLTVWGMDXBME-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.16
Rot. Bonds8

About 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 69366065) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID69366065
Molecular FormulaC19H29N5O2S
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC Name3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)CCCOCC1CCCN(c2ccnc3sc(C(N)=O)c(N)c23)C1
InChIInChI=1S/C19H29N5O2S/c1-23(2)8-4-10-26-12-13-5-3-9-24(11-13)14-6-7-22-19-15(14)16(20)17(27-19)18(21)25/h6-7,13H,3-5,8-12,20H2,1-2H3,(H2,21,25)
InChIKeyLUNLTVWGMDXBME-UHFFFAOYSA-N
XLogP2.16
TPSA97.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-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

Related Compounds

tert-butyl N-[2-[[1-(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl)piperidin-3-yl]methoxy]ethyl]carbamate
CID 69366737
3-amino-4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69365102
3-amino-4-[4-(4-methylsulfanylphenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69363221
3-amino-4-(4-pyridin-3-yl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 69365830
3-amino-4-piperazin-1-ylthieno[2,3-b]pyridine-2-carboxamide;dihydrochloride
CID 69364402
3-amino-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69364640
3-amino-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69365642
3-amino-4-[4-(1-amino-3-methyl-1-oxobutan-2-yl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 69131930
4-[4-(4-acetyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3-aminothieno[2,3-b]pyridine-2-carboxamide
CID 11502568
4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 87798831
3-amino-4-(4-ethylcyclohexyl)oxythieno[2,3-b]pyridine-2-carboxamide
CID 155522878
3-amino-4-[4-[4-(morpholine-4-carbonyl)phenyl]-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 11496671

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 69366065) is 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide is CN(C)CCCOCC1CCCN(c2ccnc3sc(C(N)=O)c(N)c23)C1.
What is the InChIKey of 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LUNLTVWGMDXBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S/c1-23(2)8-4-10-26-12-13-5-3-9-24(11-13)14-6-7-22-19-15(14)16(20)17(27-19)18(21)25/h6-7,13H,3-5,8-12,20H2,1-2H3,(H2,21,25).
What are the key properties of 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-[3-(dimethylamino)propoxymethyl]piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 69366065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).