[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C21H17F2N3O — CID 109236119

IUPAC[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cncc(Nc2c(F)cccc2F)c1)N1CCc2ccccc2C1
InChIInChI=1S/C21H17F2N3O/c22-18-6-3-7-19(23)20(18)25-17-10-16(11-24-12-17)21(27)26-9-8-14-4-1-2-5-15(14)13-26/h1-7,10-12,25H,8-9,13H2
InChIKeySVYHBTURBJLVDD-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.30
Rot. Bonds3

About [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 109236119) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID109236119
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cncc(Nc2c(F)cccc2F)c1)N1CCc2ccccc2C1
InChIInChI=1S/C21H17F2N3O/c22-18-6-3-7-19(23)20(18)25-17-10-16(11-24-12-17)21(27)26-9-8-14-4-1-2-5-15(14)13-26/h1-7,10-12,25H,8-9,13H2
InChIKeySVYHBTURBJLVDD-UHFFFAOYSA-N
XLogP4.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109236090
3,4-dihydro-1H-isoquinolin-2-yl-[5-(quinolin-8-ylamino)-3-pyridinyl]methanone
CID 109236105
N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109055372
5-(2,6-difluoroanilino)pyridine-3-carboxylic acid
CID 82535068
ethyl 4-[5-(2,6-difluoroanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238333
[5-(3-chloro-4-methoxyanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109236077
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
3,4-dihydro-1H-isoquinolin-2-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109235348
[6-(2,6-difluoroanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371759
(5-hydroxy-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63861055
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-3-carboxamide
CID 109101756
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 109236119) is [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cncc(Nc2c(F)cccc2F)c1)N1CCc2ccccc2C1.
What is the InChIKey of [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is SVYHBTURBJLVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c22-18-6-3-7-19(23)20(18)25-17-10-16(11-24-12-17)21(27)26-9-8-14-4-1-2-5-15(14)13-26/h1-7,10-12,25H,8-9,13H2.
What are the key properties of [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 365.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 109236119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).