4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide

C14H11FN4O — CID 46899182

IUPAC4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide
SMILESCc1cc(C#N)c(C)c(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C14H11FN4O/c1-8-5-10(6-16)9(2)13(18-8)14(20)19-12-4-3-11(15)7-17-12/h3-5,7H,1-2H3,(H,17,19,20)
InChIKeyXCVCDJZHNGNSGV-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.36
Rot. Bonds2

About 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide

4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide (PubChem CID 46899182) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide
PubChem CID46899182
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide
SMILESCc1cc(C#N)c(C)c(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C14H11FN4O/c1-8-5-10(6-16)9(2)13(18-8)14(20)19-12-4-3-11(15)7-17-12/h3-5,7H,1-2H3,(H,17,19,20)
InChIKeyXCVCDJZHNGNSGV-UHFFFAOYSA-N
XLogP2.36
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide (CID 46899182) is 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide is Cc1cc(C#N)c(C)c(C(=O)Nc2ccc(F)cn2)n1.
What is the InChIKey of 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide?
The InChIKey is XCVCDJZHNGNSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-8-5-10(6-16)9(2)13(18-8)14(20)19-12-4-3-11(15)7-17-12/h3-5,7H,1-2H3,(H,17,19,20).
What are the key properties of 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide?
4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 46899182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).