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

C17H21N3O2 — CID 25162626

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cccnc1
InChIInChI=1S/C17H21N3O2/c21-17(14-6-4-8-18-12-14)19-13-15(16-7-5-11-22-16)20-9-2-1-3-10-20/h4-8,11-12,15H,1-3,9-10,13H2,(H,19,21)
InChIKeyIOTNOSKWQIUTDJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.63
Rot. Bonds5

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

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide (PubChem CID 25162626) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
PubChem CID25162626
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cccnc1
InChIInChI=1S/C17H21N3O2/c21-17(14-6-4-8-18-12-14)19-13-15(16-7-5-11-22-16)20-9-2-1-3-10-20/h4-8,11-12,15H,1-3,9-10,13H2,(H,19,21)
InChIKeyIOTNOSKWQIUTDJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide (CID 25162626) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide is O=C(NCC(c1ccco1)N1CCCCC1)c1cccnc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide?
The InChIKey is IOTNOSKWQIUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(14-6-4-8-18-12-14)19-13-15(16-7-5-11-22-16)20-9-2-1-3-10-20/h4-8,11-12,15H,1-3,9-10,13H2,(H,19,21).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 25162626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).