N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide

C22H20N4O2 — CID 109162452

IUPACN-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)N3CCc4ccccc43)cn2)cc1
InChIInChI=1S/C22H20N4O2/c1-15(27)24-18-7-9-19(10-8-18)25-21-11-6-17(14-23-21)22(28)26-13-12-16-4-2-3-5-20(16)26/h2-11,14H,12-13H2,1H3,(H,23,25)(H,24,27)
InChIKeyITVBIFKCYLPMKU-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.99
Rot. Bonds4

About N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide

N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide (PubChem CID 109162452) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
PubChem CID109162452
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)N3CCc4ccccc43)cn2)cc1
InChIInChI=1S/C22H20N4O2/c1-15(27)24-18-7-9-19(10-8-18)25-21-11-6-17(14-23-21)22(28)26-13-12-16-4-2-3-5-20(16)26/h2-11,14H,12-13H2,1H3,(H,23,25)(H,24,27)
InChIKeyITVBIFKCYLPMKU-UHFFFAOYSA-N
XLogP3.99
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109162524
N-[4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109164561
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
1-[4-[[6-(2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 109356633
[6-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109162542
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide (CID 109162452) is N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)N3CCc4ccccc43)cn2)cc1.
What is the InChIKey of N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide?
The InChIKey is ITVBIFKCYLPMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15(27)24-18-7-9-19(10-8-18)25-21-11-6-17(14-23-21)22(28)26-13-12-16-4-2-3-5-20(16)26/h2-11,14H,12-13H2,1H3,(H,23,25)(H,24,27).
What are the key properties of N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide?
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 109162452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).