5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide

C23H18N4O2 — CID 167662281

IUPAC5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
SMILESCOc1cccc(C2=NCc3ccc(NC(=O)c4ncc(C#N)cc4C)cc32)c1
InChIInChI=1S/C23H18N4O2/c1-14-8-15(11-24)12-25-21(14)23(28)27-18-7-6-17-13-26-22(20(17)10-18)16-4-3-5-19(9-16)29-2/h3-10,12H,13H2,1-2H3,(H,27,28)
InChIKeySCTFNUYDMRCLBN-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.87
Rot. Bonds4

About 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide

5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide (PubChem CID 167662281) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
PubChem CID167662281
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
SMILESCOc1cccc(C2=NCc3ccc(NC(=O)c4ncc(C#N)cc4C)cc32)c1
InChIInChI=1S/C23H18N4O2/c1-14-8-15(11-24)12-25-21(14)23(28)27-18-7-6-17-13-26-22(20(17)10-18)16-4-3-5-19(9-16)29-2/h3-10,12H,13H2,1-2H3,(H,27,28)
InChIKeySCTFNUYDMRCLBN-UHFFFAOYSA-N
XLogP3.87
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167578708
N-[3-(5-chlorothiophen-2-yl)-1H-isoindol-5-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 167641552
5-cyano-N-[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167549456
5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167555487
5-cyano-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155481975
5-cyano-N-[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155482313
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
6-bromo-5-cyano-N-(3-methoxy-1H-isoindol-5-yl)-3,4-dimethylpyridine-2-carboxamide
CID 167595140
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167572344
5-cyano-3-methyl-N-[3-(6-methyl-2-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482546
2-chloro-3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167542109

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide (CID 167662281) is 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide is COc1cccc(C2=NCc3ccc(NC(=O)c4ncc(C#N)cc4C)cc32)c1.
What is the InChIKey of 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is SCTFNUYDMRCLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-14-8-15(11-24)12-25-21(14)23(28)27-18-7-6-17-13-26-22(20(17)10-18)16-4-3-5-19(9-16)29-2/h3-10,12H,13H2,1-2H3,(H,27,28).
What are the key properties of 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide?
5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 167662281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).