6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile

C26H21F2N5O2 — CID 139297291

IUPAC6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile
SMILESCc1nc(C2CCN(C(=O)c3cc(C#N)c(-c4ccc5ccccc5c4)nc3C(F)F)CC2)no1
InChIInChI=1S/C26H21F2N5O2/c1-15-30-25(32-35-15)17-8-10-33(11-9-17)26(34)21-13-20(14-29)22(31-23(21)24(27)28)19-7-6-16-4-2-3-5-18(16)12-19/h2-7,12-13,17,24H,8-11H2,1H3
InChIKeyKROONKGYPZGCOR-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.42
Rot. Bonds4

About 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile

6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile (PubChem CID 139297291) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile
PubChem CID139297291
Molecular FormulaC26H21F2N5O2
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Name6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile
SMILESCc1nc(C2CCN(C(=O)c3cc(C#N)c(-c4ccc5ccccc5c4)nc3C(F)F)CC2)no1
InChIInChI=1S/C26H21F2N5O2/c1-15-30-25(32-35-15)17-8-10-33(11-9-17)26(34)21-13-20(14-29)22(31-23(21)24(27)28)19-7-6-16-4-2-3-5-18(16)12-19/h2-7,12-13,17,24H,8-11H2,1H3
InChIKeyKROONKGYPZGCOR-UHFFFAOYSA-N
XLogP5.42
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile (CID 139297291) is 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile is Cc1nc(C2CCN(C(=O)c3cc(C#N)c(-c4ccc5ccccc5c4)nc3C(F)F)CC2)no1.
What is the InChIKey of 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile?
The InChIKey is KROONKGYPZGCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c1-15-30-25(32-35-15)17-8-10-33(11-9-17)26(34)21-13-20(14-29)22(31-23(21)24(27)28)19-7-6-16-4-2-3-5-18(16)12-19/h2-7,12-13,17,24H,8-11H2,1H3.
What are the key properties of 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile?
6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile has a molecular weight of 473.48 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-2-naphthalen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 139297291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).