3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide

C28H34N6O3S — CID 11295560

IUPAC3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NCC(O)COc3ccc4ncccc4c3)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C28H34N6O3S/c1-2-4-18-14-23(33-28-24(18)25(29)26(38-28)27(30)36)34-11-8-19(9-12-34)32-15-20(35)16-37-21-6-7-22-17(13-21)5-3-10-31-22/h3,5-7,10,13-14,19-20,32,35H,2,4,8-9,11-12,15-16,29H2,1H3,(H2,30,36)
InChIKeyUZQHOBBWNWXRFK-UHFFFAOYSA-N
MW534.69 g/mol
LogP3.48
Rot. Bonds10

About 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11295560) has the molecular formula C28H34N6O3S and a molecular weight of 534.69 g/mol. Its IUPAC name is 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID11295560
Molecular FormulaC28H34N6O3S
Molecular Weight534.69 g/mol
Exact Mass534.24
IUPAC Name3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NCC(O)COc3ccc4ncccc4c3)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C28H34N6O3S/c1-2-4-18-14-23(33-28-24(18)25(29)26(38-28)27(30)36)34-11-8-19(9-12-34)32-15-20(35)16-37-21-6-7-22-17(13-21)5-3-10-31-22/h3,5-7,10,13-14,19-20,32,35H,2,4,8-9,11-12,15-16,29H2,1H3,(H2,30,36)
InChIKeyUZQHOBBWNWXRFK-UHFFFAOYSA-N
XLogP3.48
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.69
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

3-amino-6-[4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269331
3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 10255538
3-amino-6-[4-[[2-hydroxy-2-(3-pyridin-2-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23586250
3-amino-6-[4-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane
CID 161274110
3-amino-6-[4-[[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23586268
3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400958
3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23586226
3-amino-6-[4-[[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide;methane
CID 162198529
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-pyrimidin-5-ylphenyl)ethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23586272
methyl 2-[[4-[2-[[1-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidin-4-yl]amino]-1-hydroxyethyl]benzoyl]amino]acetate
CID 23586351
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 11295560) is 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(NCC(O)COc3ccc4ncccc4c3)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UZQHOBBWNWXRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3S/c1-2-4-18-14-23(33-28-24(18)25(29)26(38-28)27(30)36)34-11-8-19(9-12-34)32-15-20(35)16-37-21-6-7-22-17(13-21)5-3-10-31-22/h3,5-7,10,13-14,19-20,32,35H,2,4,8-9,11-12,15-16,29H2,1H3,(H2,30,36).
What are the key properties of 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 534.69 g/mol, XLogP of 3.48, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[(2-hydroxy-3-quinolin-6-yloxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11295560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).