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

C18H24N4OS — CID 90398978

IUPAC7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2ccnc(N3CCC(CN4CCCC4)CC3)c2s1
InChIInChI=1S/C18H24N4OS/c19-17(23)15-11-14-3-6-20-18(16(14)24-15)22-9-4-13(5-10-22)12-21-7-1-2-8-21/h3,6,11,13H,1-2,4-5,7-10,12H2,(H2,19,23)
InChIKeyUGLQGDKWCLSCDA-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.71
Rot. Bonds4

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

7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90398978) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90398978
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2ccnc(N3CCC(CN4CCCC4)CC3)c2s1
InChIInChI=1S/C18H24N4OS/c19-17(23)15-11-14-3-6-20-18(16(14)24-15)22-9-4-13(5-10-22)12-21-7-1-2-8-21/h3,6,11,13H,1-2,4-5,7-10,12H2,(H2,19,23)
InChIKeyUGLQGDKWCLSCDA-UHFFFAOYSA-N
XLogP2.71
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide (CID 90398978) is 7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2ccnc(N3CCC(CN4CCCC4)CC3)c2s1.
What is the InChIKey of 7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is UGLQGDKWCLSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c19-17(23)15-11-14-3-6-20-18(16(14)24-15)22-9-4-13(5-10-22)12-21-7-1-2-8-21/h3,6,11,13H,1-2,4-5,7-10,12H2,(H2,19,23).
What are the key properties of 7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide?
7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90398978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).