[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C22H19N3O3 — CID 109164801

IUPAC[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C22H19N3O3/c1-14-10-15-4-2-3-5-18(15)25(14)22(26)16-6-9-21(23-12-16)24-17-7-8-19-20(11-17)28-13-27-19/h2-9,11-12,14H,10,13H2,1H3,(H,23,24)
InChIKeyOCWXSXXWLBDPRZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.15
Rot. Bonds3

About [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109164801) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109164801
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C22H19N3O3/c1-14-10-15-4-2-3-5-18(15)25(14)22(26)16-6-9-21(23-12-16)24-17-7-8-19-20(11-17)28-13-27-19/h2-9,11-12,14H,10,13H2,1H3,(H,23,24)
InChIKeyOCWXSXXWLBDPRZ-UHFFFAOYSA-N
XLogP4.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109164561
[6-(3-chloroanilino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109163427
methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109164639
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109258313
[6-(ethylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62172788
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569
1-[3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109270088
[2-(3,4-difluoroanilino)-4-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109178919
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109164809

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109164801) is [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(Nc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OCWXSXXWLBDPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-10-15-4-2-3-5-18(15)25(14)22(26)16-6-9-21(23-12-16)24-17-7-8-19-20(11-17)28-13-27-19/h2-9,11-12,14H,10,13H2,1H3,(H,23,24).
What are the key properties of [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 373.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109164801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).