5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide

C22H20N4O — CID 167611840

IUPAC5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3c(c2)C(/C=C/C2CC2)=NC3)c1C
InChIInChI=1S/C22H20N4O/c1-13-14(2)21(25-12-17(13)10-23)22(27)26-18-7-6-16-11-24-20(19(16)9-18)8-5-15-3-4-15/h5-9,12,15H,3-4,11H2,1-2H3,(H,26,27)/b8-5+
InChIKeyLDXDTZXMJIAAFG-VMPITWQZSA-N
MW356.43 g/mol
LogP4.09
Rot. Bonds4

About 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide

5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide (PubChem CID 167611840) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide
PubChem CID167611840
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide
SMILESCc1c(C#N)cnc(C(=O)Nc2ccc3c(c2)C(/C=C/C2CC2)=NC3)c1C
InChIInChI=1S/C22H20N4O/c1-13-14(2)21(25-12-17(13)10-23)22(27)26-18-7-6-16-11-24-20(19(16)9-18)8-5-15-3-4-15/h5-9,12,15H,3-4,11H2,1-2H3,(H,26,27)/b8-5+
InChIKeyLDXDTZXMJIAAFG-VMPITWQZSA-N
XLogP4.09
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-3,4-dimethyl-N-[3-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167683172
5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-2H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 155482160
4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167691136
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
N-[4-amino-3-[(E)-3-cyclopropylprop-2-enimidoyl]phenyl]-5-cyano-3,4-dimethylpyridine-2-carboxamide
CID 155481752
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
5-cyano-N-[3-(cyclopropanecarboximidoyl)-4-(iodophosphanylamino)phenyl]-3,4-dimethylpyridine-2-carboxamide
CID 155482749
N-[3-(5-chlorothiophen-2-yl)-1H-isoindol-5-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 167641552
5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167555487
5-cyano-N-[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167549456

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide (CID 167611840) is 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide is Cc1c(C#N)cnc(C(=O)Nc2ccc3c(c2)C(/C=C/C2CC2)=NC3)c1C.
What is the InChIKey of 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide?
The InChIKey is LDXDTZXMJIAAFG-VMPITWQZSA-N. The full InChI is InChI=1S/C22H20N4O/c1-13-14(2)21(25-12-17(13)10-23)22(27)26-18-7-6-16-11-24-20(19(16)9-18)8-5-15-3-4-15/h5-9,12,15H,3-4,11H2,1-2H3,(H,26,27)/b8-5+.
What are the key properties of 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide?
5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-[(E)-2-cyclopropylethenyl]-1H-isoindol-5-yl]-3,4-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 167611840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).