6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C21H21FN4O2 — CID 67268578

IUPAC6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccon2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C21H21FN4O2/c22-17-3-1-2-15(12-17)20-5-4-16(13-23-20)21(27)24-18-6-9-26(10-7-18)14-19-8-11-28-25-19/h1-5,8,11-13,18H,6-7,9-10,14H2,(H,24,27)
InChIKeyYJSVBXMDVTWCIU-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.27
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268578) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268578
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccon2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C21H21FN4O2/c22-17-3-1-2-15(12-17)20-5-4-16(13-23-20)21(27)24-18-6-9-26(10-7-18)14-19-8-11-28-25-19/h1-5,8,11-13,18H,6-7,9-10,14H2,(H,24,27)
InChIKeyYJSVBXMDVTWCIU-UHFFFAOYSA-N
XLogP3.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 67268578) is 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccon2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is YJSVBXMDVTWCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-3-1-2-15(12-17)20-5-4-16(13-23-20)21(27)24-18-6-9-26(10-7-18)14-19-8-11-28-25-19/h1-5,8,11-13,18H,6-7,9-10,14H2,(H,24,27).
What are the key properties of 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).