4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide

C17H13ClN4O — CID 167691136

IUPAC4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
SMILESCC1=NCc2ccc(NC(=O)c3ncc(C#N)c(Cl)c3C)cc21
InChIInChI=1S/C17H13ClN4O/c1-9-15(18)12(6-19)8-21-16(9)17(23)22-13-4-3-11-7-20-10(2)14(11)5-13/h3-5,8H,7H2,1-2H3,(H,22,23)
InChIKeyMQIWHRPIJJERIE-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.49
Rot. Bonds2

About 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide

4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide (PubChem CID 167691136) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
PubChem CID167691136
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
SMILESCC1=NCc2ccc(NC(=O)c3ncc(C#N)c(Cl)c3C)cc21
InChIInChI=1S/C17H13ClN4O/c1-9-15(18)12(6-19)8-21-16(9)17(23)22-13-4-3-11-7-20-10(2)14(11)5-13/h3-5,8H,7H2,1-2H3,(H,22,23)
InChIKeyMQIWHRPIJJERIE-UHFFFAOYSA-N
XLogP3.49
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.49
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-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167683172
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
N-[3-(5-chlorothiophen-2-yl)-1H-isoindol-5-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 167641552
5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167578708
5-cyano-3-methyl-N-[3-(3-piperidin-1-ylpropyl)-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167555487
2-chloro-3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167542109
6-bromo-5-cyano-N-(3-methoxy-1H-isoindol-5-yl)-3,4-dimethylpyridine-2-carboxamide
CID 167595140
5-cyano-N-[3-(3-methoxyphenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167662281
5-cyano-N-[3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167549456
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]-2H-indazol-5-yl]-3,4-dimethylpyridine-2-carboxamide
CID 155482160

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide (CID 167691136) is 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide is CC1=NCc2ccc(NC(=O)c3ncc(C#N)c(Cl)c3C)cc21.
What is the InChIKey of 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide?
The InChIKey is MQIWHRPIJJERIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-9-15(18)12(6-19)8-21-16(9)17(23)22-13-4-3-11-7-20-10(2)14(11)5-13/h3-5,8H,7H2,1-2H3,(H,22,23).
What are the key properties of 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide?
4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyano-3-methyl-N-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167691136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).