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

C21H18ClN3O — CID 109197752

IUPAC[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(Cl)ccc1Nc1ccc(C(=O)N2CCc3ccccc32)nc1
InChIInChI=1S/C21H18ClN3O/c1-14-12-16(22)6-8-18(14)24-17-7-9-19(23-13-17)21(26)25-11-10-15-4-2-3-5-20(15)25/h2-9,12-13,24H,10-11H2,1H3
InChIKeyPUQYRPRDVHQRIP-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.99
Rot. Bonds3

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

[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109197752) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is [5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109197752
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(Cl)ccc1Nc1ccc(C(=O)N2CCc3ccccc32)nc1
InChIInChI=1S/C21H18ClN3O/c1-14-12-16(22)6-8-18(14)24-17-7-9-19(23-13-17)21(26)25-11-10-15-4-2-3-5-20(15)25/h2-9,12-13,24H,10-11H2,1H3
InChIKeyPUQYRPRDVHQRIP-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
CID 109197743
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
CID 109197766
3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
CID 109197873
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 109197752) is [5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is Cc1cc(Cl)ccc1Nc1ccc(C(=O)N2CCc3ccccc32)nc1.
What is the InChIKey of [5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is PUQYRPRDVHQRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-14-12-16(22)6-8-18(14)24-17-7-9-19(23-13-17)21(26)25-11-10-15-4-2-3-5-20(15)25/h2-9,12-13,24H,10-11H2,1H3.
What are the key properties of [5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 363.85 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109197752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).