N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide

C18H22FN3O2 — CID 167767168

IUPACN-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2ccco2)ccc1C(=O)NCC(F)C1CCNCC1
InChIInChI=1S/C18H22FN3O2/c1-12-14(4-5-16(22-12)17-3-2-10-24-17)18(23)21-11-15(19)13-6-8-20-9-7-13/h2-5,10,13,15,20H,6-9,11H2,1H3,(H,21,23)
InChIKeyFLQJMSCOISLYQG-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.72
Rot. Bonds5

About N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide

N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 167767168) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID167767168
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2ccco2)ccc1C(=O)NCC(F)C1CCNCC1
InChIInChI=1S/C18H22FN3O2/c1-12-14(4-5-16(22-12)17-3-2-10-24-17)18(23)21-11-15(19)13-6-8-20-9-7-13/h2-5,10,13,15,20H,6-9,11H2,1H3,(H,21,23)
InChIKeyFLQJMSCOISLYQG-UHFFFAOYSA-N
XLogP2.72
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide (CID 167767168) is N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide is Cc1nc(-c2ccco2)ccc1C(=O)NCC(F)C1CCNCC1.
What is the InChIKey of N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is FLQJMSCOISLYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12-14(4-5-16(22-12)17-3-2-10-24-17)18(23)21-11-15(19)13-6-8-20-9-7-13/h2-5,10,13,15,20H,6-9,11H2,1H3,(H,21,23).
What are the key properties of N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 167767168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).