4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile

C21H16N4O — CID 109219573

IUPAC4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C21H16N4O/c22-14-15-5-7-17(8-6-15)24-18-9-11-23-19(13-18)21(26)25-12-10-16-3-1-2-4-20(16)25/h1-9,11,13H,10,12H2,(H,23,24)
InChIKeyOLBXXTVJCNZFBO-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.90
Rot. Bonds3

About 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile

4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile (PubChem CID 109219573) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
PubChem CID109219573
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C21H16N4O/c22-14-15-5-7-17(8-6-15)24-18-9-11-23-19(13-18)21(26)25-12-10-16-3-1-2-4-20(16)25/h1-9,11,13H,10,12H2,(H,23,24)
InChIKeyOLBXXTVJCNZFBO-UHFFFAOYSA-N
XLogP3.90
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219564
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
2-[[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219683
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
3-[[4-(2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109314533
[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
N-(4-cyanophenyl)-6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109100339
2,3-dihydroindol-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109219565
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile (CID 109219573) is 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile is N#Cc1ccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1.
What is the InChIKey of 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
The InChIKey is OLBXXTVJCNZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c22-14-15-5-7-17(8-6-15)24-18-9-11-23-19(13-18)21(26)25-12-10-16-3-1-2-4-20(16)25/h1-9,11,13H,10,12H2,(H,23,24).
What are the key properties of 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile?
4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile has a molecular weight of 340.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109219573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).