(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C21H19N3O — CID 109213775

IUPAC(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc(Nc2ccccc2)ccn1)N1CCc2ccccc2C1
InChIInChI=1S/C21H19N3O/c25-21(24-13-11-16-6-4-5-7-17(16)15-24)20-14-19(10-12-22-20)23-18-8-2-1-3-9-18/h1-10,12,14H,11,13,15H2,(H,22,23)
InChIKeyGKNXWLIDAPRTJJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.02
Rot. Bonds3

About (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 109213775) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID109213775
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc(Nc2ccccc2)ccn1)N1CCc2ccccc2C1
InChIInChI=1S/C21H19N3O/c25-21(24-13-11-16-6-4-5-7-17(16)15-24)20-14-19(10-12-22-20)23-18-8-2-1-3-9-18/h1-10,12,14H,11,13,15H2,(H,22,23)
InChIKeyGKNXWLIDAPRTJJ-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dimethoxyanilino)-2-pyridinyl]methanone
CID 109213815
[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213829
3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
CID 109213841
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109213782
3,4-dihydro-1H-isoquinolin-2-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109213831
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methoxyethylamino)-2-pyridinyl]methanone
CID 109205870
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209464
1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone
CID 55049769
3,4-dihydro-1H-isoquinolin-2-yl-[4-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109213749
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
[6-(4-chloroanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350790

Frequently Asked Questions

What is the IUPAC name of (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 109213775) is (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cc(Nc2ccccc2)ccn1)N1CCc2ccccc2C1.
What is the InChIKey of (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is GKNXWLIDAPRTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(24-13-11-16-6-4-5-7-17(16)15-24)20-14-19(10-12-22-20)23-18-8-2-1-3-9-18/h1-10,12,14H,11,13,15H2,(H,22,23).
What are the key properties of (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 109213775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).