4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C22H17N3O — CID 175996061

IUPAC4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCc1cccc(C(=O)N2CCc3c(-c4ccc(C#N)cc4)cncc32)c1
InChIInChI=1S/C22H17N3O/c1-15-3-2-4-18(11-15)22(26)25-10-9-19-20(13-24-14-21(19)25)17-7-5-16(12-23)6-8-17/h2-8,11,13-14H,9-10H2,1H3
InChIKeyBXYFHVMTNXYMEU-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.13
Rot. Bonds2

About 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile

4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 175996061) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID175996061
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCc1cccc(C(=O)N2CCc3c(-c4ccc(C#N)cc4)cncc32)c1
InChIInChI=1S/C22H17N3O/c1-15-3-2-4-18(11-15)22(26)25-10-9-19-20(13-24-14-21(19)25)17-7-5-16(12-23)6-8-17/h2-8,11,13-14H,9-10H2,1H3
InChIKeyBXYFHVMTNXYMEU-UHFFFAOYSA-N
XLogP4.13
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[3-(trifluoromethyl)benzoyl]-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996091
4-[1-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 176882129
4-[1-[2-(4-fluorophenyl)acetyl]-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996067
4-[1-[2-(4-bromophenyl)acetyl]-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996054
4-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996069
4-[4-[2-(3-methylphenyl)acetyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
CID 175995818
4-[1-(3-methoxybenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]piperazine-1-carbonitrile
CID 175996111
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
CID 143489580
4-(1-thiophen-2-ylsulfonyl-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl)benzonitrile
CID 175996107
4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175996083
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
4-[4-(2-fluorobenzoyl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-yl]benzonitrile
CID 175996137

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 175996061) is 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile is Cc1cccc(C(=O)N2CCc3c(-c4ccc(C#N)cc4)cncc32)c1.
What is the InChIKey of 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is BXYFHVMTNXYMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15-3-2-4-18(11-15)22(26)25-10-9-19-20(13-24-14-21(19)25)17-7-5-16(12-23)6-8-17/h2-8,11,13-14H,9-10H2,1H3.
What are the key properties of 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 339.40 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylbenzoyl)-2,3-dihydropyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 175996061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).