3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide

C17H22N6OS — CID 23400987

IUPAC3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(N)(C#N)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H22N6OS/c1-2-3-10-8-11(23-6-4-17(21,9-18)5-7-23)22-16-12(10)13(19)14(25-16)15(20)24/h8H,2-7,19,21H2,1H3,(H2,20,24)
InChIKeyMTIAEVDFLNZWBL-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.75
Rot. Bonds4

About 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23400987) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23400987
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(N)(C#N)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H22N6OS/c1-2-3-10-8-11(23-6-4-17(21,9-18)5-7-23)22-16-12(10)13(19)14(25-16)15(20)24/h8H,2-7,19,21H2,1H3,(H2,20,24)
InChIKeyMTIAEVDFLNZWBL-UHFFFAOYSA-N
XLogP1.75
TPSA135.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23400987) is 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(N)(C#N)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MTIAEVDFLNZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-2-3-10-8-11(23-6-4-17(21,9-18)5-7-23)22-16-12(10)13(19)14(25-16)15(20)24/h8H,2-7,19,21H2,1H3,(H2,20,24).
What are the key properties of 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-amino-4-cyanopiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23400987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).