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

C22H27N3O — CID 109191980

IUPAC[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(NC2CCCCCC2)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C22H27N3O/c26-22(25-14-13-17-7-5-6-8-18(17)16-25)21-12-11-20(15-23-21)24-19-9-3-1-2-4-10-19/h5-8,11-12,15,19,24H,1-4,9-10,13-14,16H2
InChIKeyLOJPOGMSHIJVPV-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.41
Rot. Bonds3

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

[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 109191980) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID109191980
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(NC2CCCCCC2)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C22H27N3O/c26-22(25-14-13-17-7-5-6-8-18(17)16-25)21-12-11-20(15-23-21)24-19-9-3-1-2-4-10-19/h5-8,11-12,15,19,24H,1-4,9-10,13-14,16H2
InChIKeyLOJPOGMSHIJVPV-UHFFFAOYSA-N
XLogP4.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121834
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371704
[5-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109180125
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
[5-(3-chloro-4-fluoroanilino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109192017
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]methanone
CID 109191971
1,3-dihydroisoindol-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 113436314
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109191966
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-ylpyrazin-2-yl)methanone
CID 109274481

Frequently Asked Questions

What is the IUPAC name of [5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 109191980) is [5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1ccc(NC2CCCCCC2)cn1)N1CCc2ccccc2C1.
What is the InChIKey of [5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is LOJPOGMSHIJVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(25-14-13-17-7-5-6-8-18(17)16-25)21-12-11-20(15-23-21)24-19-9-3-1-2-4-10-19/h5-8,11-12,15,19,24H,1-4,9-10,13-14,16H2.
What are the key properties of [5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 349.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cycloheptylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 109191980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).