5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C22H24FN5O2 — CID 86904355

IUPAC5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NC1CCCN(c2ccc(C#N)cc2F)C1
InChIInChI=1S/C22H24FN5O2/c1-14-17(7-8-19(25-14)22(30)27(2)3)21(29)26-16-5-4-10-28(13-16)20-9-6-15(12-24)11-18(20)23/h6-9,11,16H,4-5,10,13H2,1-3H3,(H,26,29)
InChIKeyADCVNWXDYXXUTE-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.50
Rot. Bonds4

About 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86904355) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86904355
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NC1CCCN(c2ccc(C#N)cc2F)C1
InChIInChI=1S/C22H24FN5O2/c1-14-17(7-8-19(25-14)22(30)27(2)3)21(29)26-16-5-4-10-28(13-16)20-9-6-15(12-24)11-18(20)23/h6-9,11,16H,4-5,10,13H2,1-3H3,(H,26,29)
InChIKeyADCVNWXDYXXUTE-UHFFFAOYSA-N
XLogP2.50
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86904355) is 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is Cc1nc(C(=O)N(C)C)ccc1C(=O)NC1CCCN(c2ccc(C#N)cc2F)C1.
What is the InChIKey of 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is ADCVNWXDYXXUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-14-17(7-8-19(25-14)22(30)27(2)3)21(29)26-16-5-4-10-28(13-16)20-9-6-15(12-24)11-18(20)23/h6-9,11,16H,4-5,10,13H2,1-3H3,(H,26,29).
What are the key properties of 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86904355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).