7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide

C15H20N4OS — CID 90389243

IUPAC7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESNCCC1CCN(c2nccc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H20N4OS/c16-5-1-10-3-7-19(8-4-10)15-13-11(2-6-18-15)9-12(21-13)14(17)20/h2,6,9-10H,1,3-5,7-8,16H2,(H2,17,20)
InChIKeyNSMULOIOKQLDSH-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.96
Rot. Bonds4

About 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide

7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90389243) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90389243
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESNCCC1CCN(c2nccc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H20N4OS/c16-5-1-10-3-7-19(8-4-10)15-13-11(2-6-18-15)9-12(21-13)14(17)20/h2,6,9-10H,1,3-5,7-8,16H2,(H2,17,20)
InChIKeyNSMULOIOKQLDSH-UHFFFAOYSA-N
XLogP1.96
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (CID 90389243) is 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is NCCC1CCN(c2nccc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is NSMULOIOKQLDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-5-1-10-3-7-19(8-4-10)15-13-11(2-6-18-15)9-12(21-13)14(17)20/h2,6,9-10H,1,3-5,7-8,16H2,(H2,17,20).
What are the key properties of 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-aminoethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90389243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).