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

C15H19BrN4OS — CID 90389273

IUPAC7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide
SMILESNCCC1CCN(c2ncc(Br)c3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H19BrN4OS/c16-11-8-19-15(13-10(11)7-12(22-13)14(18)21)20-5-2-9(1-4-17)3-6-20/h7-9H,1-6,17H2,(H2,18,21)
InChIKeyUUNPPPIICQMGNB-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.72
Rot. Bonds4

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

7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90389273) has the molecular formula C15H19BrN4OS and a molecular weight of 383.32 g/mol. Its IUPAC name is 7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide
PubChem CID90389273
Molecular FormulaC15H19BrN4OS
Molecular Weight383.32 g/mol
Exact Mass382.05
IUPAC Name7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide
SMILESNCCC1CCN(c2ncc(Br)c3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H19BrN4OS/c16-11-8-19-15(13-10(11)7-12(22-13)14(18)21)20-5-2-9(1-4-17)3-6-20/h7-9H,1-6,17H2,(H2,18,21)
InChIKeyUUNPPPIICQMGNB-UHFFFAOYSA-N
XLogP2.72
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.72
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]-4-bromothieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide (CID 90389273) is 7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide is NCCC1CCN(c2ncc(Br)c3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is UUNPPPIICQMGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4OS/c16-11-8-19-15(13-10(11)7-12(22-13)14(18)21)20-5-2-9(1-4-17)3-6-20/h7-9H,1-6,17H2,(H2,18,21).
What are the key properties of 7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide?
7-[4-(2-aminoethyl)piperidin-1-yl]-4-bromothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 383.32 g/mol, XLogP of 2.72, 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]-4-bromothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90389273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).