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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Related Compounds

CID 141678041
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CID 973877
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CID 973868
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CID 11603404
CID 11603404
CID 68158217
CID 68158217
CID 141677967
CID 141677967
CID 141677971
CID 141677971
CID 141677978
CID 141677978
CID 141678009
CID 141678009
CID 141678115
CID 141678115
CID 141678130
CID 141678130
CID 141678136
CID 141678136

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).