[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C21H18ClN3O2 — CID 109219532

IUPAC[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1Cl
InChIInChI=1S/C21H18ClN3O2/c1-27-20-7-6-15(12-17(20)22)24-16-8-10-23-18(13-16)21(26)25-11-9-14-4-2-3-5-19(14)25/h2-8,10,12-13H,9,11H2,1H3,(H,23,24)
InChIKeyNJJXENLZHNLRKS-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.69
Rot. Bonds4

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

[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109219532) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is [4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109219532
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1Cl
InChIInChI=1S/C21H18ClN3O2/c1-27-20-7-6-15(12-17(20)22)24-16-8-10-23-18(13-16)21(26)25-11-9-14-4-2-3-5-19(14)25/h2-8,10,12-13H,9,11H2,1H3,(H,23,24)
InChIKeyNJJXENLZHNLRKS-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.69
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-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219569
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219564
4-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219573
N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219601
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dimethoxyanilino)-2-pyridinyl]methanone
CID 109213815
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 109219532) is [4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is COc1ccc(Nc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is NJJXENLZHNLRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-27-20-7-6-15(12-17(20)22)24-16-8-10-23-18(13-16)21(26)25-11-9-14-4-2-3-5-19(14)25/h2-8,10,12-13H,9,11H2,1H3,(H,23,24).
What are the key properties of [4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 379.85 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109219532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).