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

C18H27N5O2S — CID 23400958

IUPAC3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NCCO)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C18H27N5O2S/c1-2-3-11-10-13(23-7-4-12(5-8-23)21-6-9-24)22-18-14(11)15(19)16(26-18)17(20)25/h10,12,21,24H,2-9,19H2,1H3,(H2,20,25)
InChIKeyROKNIKLGTCUQSG-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.48
Rot. Bonds7

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

3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23400958) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23400958
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NCCO)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C18H27N5O2S/c1-2-3-11-10-13(23-7-4-12(5-8-23)21-6-9-24)22-18-14(11)15(19)16(26-18)17(20)25/h10,12,21,24H,2-9,19H2,1H3,(H2,20,25)
InChIKeyROKNIKLGTCUQSG-UHFFFAOYSA-N
XLogP1.48
TPSA117.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.48
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-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23400958) is 3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(NCCO)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ROKNIKLGTCUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-2-3-11-10-13(23-7-4-12(5-8-23)21-6-9-24)22-18-14(11)15(19)16(26-18)17(20)25/h10,12,21,24H,2-9,19H2,1H3,(H2,20,25).
What are the key properties of 3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[4-(2-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 1.48, 7 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-hydroxyethylamino)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23400958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).