N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide

C22H25N3O2S — CID 24732035

IUPACN-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1ccco1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C22H25N3O2S/c26-22(18-4-1-10-23-16-18)25(17-20-5-2-14-27-20)19-7-11-24(12-8-19)13-9-21-6-3-15-28-21/h1-6,10,14-16,19H,7-9,11-13,17H2
InChIKeyXWJWETQSIJCQSY-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.09
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide

N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 24732035) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID24732035
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1ccco1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C22H25N3O2S/c26-22(18-4-1-10-23-16-18)25(17-20-5-2-14-27-20)19-7-11-24(12-8-19)13-9-21-6-3-15-28-21/h1-6,10,14-16,19H,7-9,11-13,17H2
InChIKeyXWJWETQSIJCQSY-UHFFFAOYSA-N
XLogP4.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 24732035) is N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(c1cccnc1)N(Cc1ccco1)C1CCN(CCc2cccs2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XWJWETQSIJCQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c26-22(18-4-1-10-23-16-18)25(17-20-5-2-14-27-20)19-7-11-24(12-8-19)13-9-21-6-3-15-28-21/h1-6,10,14-16,19H,7-9,11-13,17H2.
What are the key properties of N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24732035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).