[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C22H20ClN3O2 — CID 109219569

IUPAC[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H20ClN3O2/c1-14-11-18(21(28-2)13-17(14)23)25-16-7-9-24-19(12-16)22(27)26-10-8-15-5-3-4-6-20(15)26/h3-7,9,11-13H,8,10H2,1-2H3,(H,24,25)
InChIKeyRTYYLRSVOJKXRN-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.00
Rot. Bonds4

About [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109219569) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109219569
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H20ClN3O2/c1-14-11-18(21(28-2)13-17(14)23)25-16-7-9-24-19(12-16)22(27)26-10-8-15-5-3-4-6-20(15)26/h3-7,9,11-13H,8,10H2,1-2H3,(H,24,25)
InChIKeyRTYYLRSVOJKXRN-UHFFFAOYSA-N
XLogP5.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206556
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
2,3-dihydroindol-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109219565
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197861
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 109219569) is [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is COc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is RTYYLRSVOJKXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-14-11-18(21(28-2)13-17(14)23)25-16-7-9-24-19(12-16)22(27)26-10-8-15-5-3-4-6-20(15)26/h3-7,9,11-13H,8,10H2,1-2H3,(H,24,25).
What are the key properties of [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 393.87 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109219569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).