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

C28H33N5O2S — CID 10255538

IUPAC3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NCC(O)c3cccc4ccccc34)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C28H33N5O2S/c1-2-6-18-15-23(32-28-24(18)25(29)26(36-28)27(30)35)33-13-11-19(12-14-33)31-16-22(34)21-10-5-8-17-7-3-4-9-20(17)21/h3-5,7-10,15,19,22,31,34H,2,6,11-14,16,29H2,1H3,(H2,30,35)
InChIKeyUCDAAHJFTSAMFB-UHFFFAOYSA-N
MW503.67 g/mol
LogP4.38
Rot. Bonds8

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

3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 10255538) has the molecular formula C28H33N5O2S and a molecular weight of 503.67 g/mol. Its IUPAC name is 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID10255538
Molecular FormulaC28H33N5O2S
Molecular Weight503.67 g/mol
Exact Mass503.24
IUPAC Name3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NCC(O)c3cccc4ccccc34)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C28H33N5O2S/c1-2-6-18-15-23(32-28-24(18)25(29)26(36-28)27(30)35)33-13-11-19(12-14-33)31-16-22(34)21-10-5-8-17-7-3-4-9-20(17)21/h3-5,7-10,15,19,22,31,34H,2,6,11-14,16,29H2,1H3,(H2,30,35)
InChIKeyUCDAAHJFTSAMFB-UHFFFAOYSA-N
XLogP4.38
TPSA117.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 10255538) is 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(NCC(O)c3cccc4ccccc34)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UCDAAHJFTSAMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2S/c1-2-6-18-15-23(32-28-24(18)25(29)26(36-28)27(30)35)33-13-11-19(12-14-33)31-16-22(34)21-10-5-8-17-7-3-4-9-20(17)21/h3-5,7-10,15,19,22,31,34H,2,6,11-14,16,29H2,1H3,(H2,30,35).
What are the key properties of 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 503.67 g/mol, XLogP of 4.38, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[(2-hydroxy-2-naphthalen-1-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 10255538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).