4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide

C23H18N4O — CID 170387742

IUPAC4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ncc3c(ccn3C)c2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H18N4O/c1-25-23(28)18-9-7-17(8-10-18)22-21(16-5-3-15(13-24)4-6-16)19-11-12-27(2)20(19)14-26-22/h3-12,14H,1-2H3,(H,25,28)
InChIKeyCMPACXNOFKPBQH-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.14
Rot. Bonds3

About 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide

4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide (PubChem CID 170387742) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide
PubChem CID170387742
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ncc3c(ccn3C)c2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H18N4O/c1-25-23(28)18-9-7-17(8-10-18)22-21(16-5-3-15(13-24)4-6-16)19-11-12-27(2)20(19)14-26-22/h3-12,14H,1-2H3,(H,25,28)
InChIKeyCMPACXNOFKPBQH-UHFFFAOYSA-N
XLogP4.14
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-acetylphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 142474977
4-[5-(4-ethoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 170387770
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 170387902
4-[5-(4-methylsulfinylphenyl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 142474947
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63235692
4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 166828277
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
4-[5-(1-methylindazol-5-yl)-1-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 142474822
4-[5-(1-methylindazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 142474849
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide?
The IUPAC name of 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide (CID 170387742) is 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide?
The canonical SMILES for 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ncc3c(ccn3C)c2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide?
The InChIKey is CMPACXNOFKPBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-25-23(28)18-9-7-17(8-10-18)22-21(16-5-3-15(13-24)4-6-16)19-11-12-27(2)20(19)14-26-22/h3-12,14H,1-2H3,(H,25,28).
What are the key properties of 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide?
4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide has a molecular weight of 366.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylbenzamide is sourced from PubChem (CID 170387742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).