[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C23H23N3O3 — CID 109222011

IUPAC[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(Nc2ccnc(C(=O)N3c4ccccc4CC3C)c2)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-15-12-16-6-4-5-7-21(16)26(15)23(27)20-13-17(10-11-24-20)25-19-9-8-18(28-2)14-22(19)29-3/h4-11,13-15H,12H2,1-3H3,(H,24,25)
InChIKeyITOVQSRGLHXUQQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.43
Rot. Bonds5

About [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109222011) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109222011
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(Nc2ccnc(C(=O)N3c4ccccc4CC3C)c2)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-15-12-16-6-4-5-7-21(16)26(15)23(27)20-13-17(10-11-24-20)25-19-9-8-18(28-2)14-22(19)29-3/h4-11,13-15H,12H2,1-3H3,(H,24,25)
InChIKeyITOVQSRGLHXUQQ-UHFFFAOYSA-N
XLogP4.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,4-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109222586
(2-methyl-2,3-dihydroindol-1-yl)-[4-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109222608
[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109293910
[4-(cycloheptylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217194
[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595
(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210859
[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217477
N-(2,4-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109143683
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-4-carboxamide
CID 109082621
N-(2,5-dimethoxyphenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089816
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
N-(2,4-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109178358

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109222011) is [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is COc1ccc(Nc2ccnc(C(=O)N3c4ccccc4CC3C)c2)c(OC)c1.
What is the InChIKey of [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ITOVQSRGLHXUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-12-16-6-4-5-7-21(16)26(15)23(27)20-13-17(10-11-24-20)25-19-9-8-18(28-2)14-22(19)29-3/h4-11,13-15H,12H2,1-3H3,(H,24,25).
What are the key properties of [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethoxyanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109222011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).