5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide

C20H15F3N4O — CID 167683172

IUPAC5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3c(c2)C(/C=C/C(F)(F)F)=NC3)c1C
InChIInChI=1S/C20H15F3N4O/c1-11-12(2)18(26-10-14(11)8-24)19(28)27-15-4-3-13-9-25-17(16(13)7-15)5-6-20(21,22)23/h3-7,10H,9H2,1-2H3,(H,27,28)/b6-5+
InChIKeyABEOXZLWXJHQIR-AATRIKPKSA-N
MW384.36 g/mol
LogP4.24
Rot. Bonds3

About 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide

5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide (PubChem CID 167683172) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
PubChem CID167683172
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3c(c2)C(/C=C/C(F)(F)F)=NC3)c1C
InChIInChI=1S/C20H15F3N4O/c1-11-12(2)18(26-10-14(11)8-24)19(28)27-15-4-3-13-9-25-17(16(13)7-15)5-6-20(21,22)23/h3-7,10H,9H2,1-2H3,(H,27,28)/b6-5+
InChIKeyABEOXZLWXJHQIR-AATRIKPKSA-N
XLogP4.24
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 167611840
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167691136
N-[4-amino-3-[(E)-4,4,4-trifluorobut-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155574887
5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-2H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 155482160
5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167578708
5-cyano-3,4-dimethyl-N-[3-(oxan-4-ylidenemethyl)-2H-indazol-5-yl]pyridine-2-carboxamide
CID 155482317
6-bromo-5-cyano-N-(3-methoxy-1H-isoindol-5-yl)-3,4-dimethylpyridine-2-carboxamide
CID 167595140
N-[3-(5-chlorothiophen-2-yl)-1H-isoindol-5-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 167641552
N-(4-amino-3-fluoro-5-methanimidoylphenyl)-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155482666
5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167555487
5-cyano-N-(3-cyclopropyl-2H-indazol-5-yl)-3-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
CID 155482385

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide (CID 167683172) is 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide is Cc1c(C#N)cnc(C(=O)Nc2ccc3c(c2)C(/C=C/C(F)(F)F)=NC3)c1C.
What is the InChIKey of 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide?
The InChIKey is ABEOXZLWXJHQIR-AATRIKPKSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-11-12(2)18(26-10-14(11)8-24)19(28)27-15-4-3-13-9-25-17(16(13)7-15)5-6-20(21,22)23/h3-7,10H,9H2,1-2H3,(H,27,28)/b6-5+.
What are the key properties of 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide?
5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167683172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).