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

C15H14ClN3O — CID 114921920

IUPAC[5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCc3ccccc32)c(Cl)cn1
InChIInChI=1S/C15H14ClN3O/c1-17-14-8-11(12(16)9-18-14)15(20)19-7-6-10-4-2-3-5-13(10)19/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyXYQLKYFIMZPXDN-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.98
Rot. Bonds2

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

[5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 114921920) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is [5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID114921920
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name[5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCc3ccccc32)c(Cl)cn1
InChIInChI=1S/C15H14ClN3O/c1-17-14-8-11(12(16)9-18-14)15(20)19-7-6-10-4-2-3-5-13(10)19/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyXYQLKYFIMZPXDN-UHFFFAOYSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
(2-chlorofuran-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 106685283
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 62249938
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 99953294
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109290400
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519
(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 114918498
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623835

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 114921920) is [5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is CNc1cc(C(=O)N2CCc3ccccc32)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is XYQLKYFIMZPXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-17-14-8-11(12(16)9-18-14)15(20)19-7-6-10-4-2-3-5-13(10)19/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of [5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 287.75 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(methylamino)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 114921920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).