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

C23H15N5O — CID 167578708

IUPAC5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)C(c1cccc(C#N)c1)=NC2
InChIInChI=1S/C23H15N5O/c1-14-7-16(11-25)12-26-21(14)23(29)28-19-6-5-18-13-27-22(20(18)9-19)17-4-2-3-15(8-17)10-24/h2-9,12H,13H2,1H3,(H,28,29)
InChIKeyGWLFSOFTDKYULS-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.74
Rot. Bonds3

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

5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide (PubChem CID 167578708) has the molecular formula C23H15N5O and a molecular weight of 377.41 g/mol. Its IUPAC name is 5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
PubChem CID167578708
Molecular FormulaC23H15N5O
Molecular Weight377.41 g/mol
Exact Mass377.13
IUPAC Name5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)C(c1cccc(C#N)c1)=NC2
InChIInChI=1S/C23H15N5O/c1-14-7-16(11-25)12-26-21(14)23(29)28-19-6-5-18-13-27-22(20(18)9-19)17-4-2-3-15(8-17)10-24/h2-9,12H,13H2,1H3,(H,28,29)
InChIKeyGWLFSOFTDKYULS-UHFFFAOYSA-N
XLogP3.74
TPSA101.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167662281
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-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
5-cyano-3-methyl-N-[3-(6-methyl-2-pyridinyl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482546
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167572344
2-chloro-3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167542109
3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide
CID 167537423
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-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167683172

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide (CID 167578708) is 5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide is Cc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)C(c1cccc(C#N)c1)=NC2.
What is the InChIKey of 5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is GWLFSOFTDKYULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O/c1-14-7-16(11-25)12-26-21(14)23(29)28-19-6-5-18-13-27-22(20(18)9-19)17-4-2-3-15(8-17)10-24/h2-9,12H,13H2,1H3,(H,28,29).
What are the key properties of 5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide?
5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 3.74, 3 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-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 167578708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).