3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid

C18H26N4O2S — CID 22278580

IUPAC3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCCc1cc(N2CCC(N(C)C)CC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C18H26N4O2S/c1-4-5-11-10-13(22-8-6-12(7-9-22)21(2)3)20-17-14(11)15(19)16(25-17)18(23)24/h10,12H,4-9,19H2,1-3H3,(H,23,24)
InChIKeyYXLPNJMCDPQZAQ-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.06
Rot. Bonds5

About 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22278580) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID22278580
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCCc1cc(N2CCC(N(C)C)CC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C18H26N4O2S/c1-4-5-11-10-13(22-8-6-12(7-9-22)21(2)3)20-17-14(11)15(19)16(25-17)18(23)24/h10,12H,4-9,19H2,1-3H3,(H,23,24)
InChIKeyYXLPNJMCDPQZAQ-UHFFFAOYSA-N
XLogP3.06
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-amino-6-[(3S)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400853
3-amino-6-[(3R)-3-aminopyrrolidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 142776840
3-amino-6-[4-(methylcarbamoylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22278562
3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 23400850
3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400958
3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400921
3-amino-6-[4-[ethyl-(2-hydroxythiophen-3-yl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 90768975
3-amino-6-[4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269262
3-amino-6-[4-[[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269344
3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400922
3-amino-6-[4-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269074
tert-butyl 4-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperazine-1-carboxylate
CID 23401058

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (CID 22278580) is 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is CCCc1cc(N2CCC(N(C)C)CC2)nc2sc(C(=O)O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is YXLPNJMCDPQZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-4-5-11-10-13(22-8-6-12(7-9-22)21(2)3)20-17-14(11)15(19)16(25-17)18(23)24/h10,12H,4-9,19H2,1-3H3,(H,23,24).
What are the key properties of 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 362.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(dimethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22278580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).