(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone

C15H15N3O — CID 114523309

IUPAC(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone
SMILESNc1cccc2c1CN(C(=O)c1ccccn1)CC2
InChIInChI=1S/C15H15N3O/c16-13-5-3-4-11-7-9-18(10-12(11)13)15(19)14-6-1-2-8-17-14/h1-6,8H,7,9-10,16H2
InChIKeyNAJMQTZKRVBCCD-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.86
Rot. Bonds1

About (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone

(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone (PubChem CID 114523309) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone
PubChem CID114523309
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone
SMILESNc1cccc2c1CN(C(=O)c1ccccn1)CC2
InChIInChI=1S/C15H15N3O/c16-13-5-3-4-11-7-9-18(10-12(11)13)15(19)14-6-1-2-8-17-14/h1-6,8H,7,9-10,16H2
InChIKeyNAJMQTZKRVBCCD-UHFFFAOYSA-N
XLogP1.86
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone
CID 114522694
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrazol-3-yl)methanone
CID 103121100
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-hydroxyphenyl)methanone
CID 114523200
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 114523312
4-(8-amino-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-dihydroimidazol-2-one
CID 114522938
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylsulfanylphenyl)methanone
CID 114523302
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1,5-dimethylpyrrol-2-yl)methanone
CID 114522696
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 114522729
ethyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 114523491
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-bromo-2-chlorophenyl)methanone
CID 114522724
3-(8-amino-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 114523287
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-bromo-2-fluorophenyl)methanone
CID 107956315

Frequently Asked Questions

What is the IUPAC name of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone?
The IUPAC name of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone (CID 114523309) is (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone is Nc1cccc2c1CN(C(=O)c1ccccn1)CC2.
What is the InChIKey of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone?
The InChIKey is NAJMQTZKRVBCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-13-5-3-4-11-7-9-18(10-12(11)13)15(19)14-6-1-2-8-17-14/h1-6,8H,7,9-10,16H2.
What are the key properties of (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone?
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone has a molecular weight of 253.31 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 114523309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).