5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide

C14H16F2N4O — CID 146525962

IUPAC5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
SMILESCc1nc(N2CCCC(F)(F)CC2)c(C(N)=O)cc1C#N
InChIInChI=1S/C14H16F2N4O/c1-9-10(8-17)7-11(12(18)21)13(19-9)20-5-2-3-14(15,16)4-6-20/h7H,2-6H2,1H3,(H2,18,21)
InChIKeyCUERWIYVNUCATA-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.99
Rot. Bonds2

About 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide

5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide (PubChem CID 146525962) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
PubChem CID146525962
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide
SMILESCc1nc(N2CCCC(F)(F)CC2)c(C(N)=O)cc1C#N
InChIInChI=1S/C14H16F2N4O/c1-9-10(8-17)7-11(12(18)21)13(19-9)20-5-2-3-14(15,16)4-6-20/h7H,2-6H2,1H3,(H2,18,21)
InChIKeyCUERWIYVNUCATA-UHFFFAOYSA-N
XLogP1.99
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide (CID 146525962) is 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide is Cc1nc(N2CCCC(F)(F)CC2)c(C(N)=O)cc1C#N.
What is the InChIKey of 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is CUERWIYVNUCATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-9-10(8-17)7-11(12(18)21)13(19-9)20-5-2-3-14(15,16)4-6-20/h7H,2-6H2,1H3,(H2,18,21).
What are the key properties of 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide?
5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(4,4-difluoroazepan-1-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 146525962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).