6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide

C21H20N4O2 — CID 68750583

IUPAC6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2cccc3c2CCN(Cc2cccnc2)C3)nc1
InChIInChI=1S/C21H20N4O2/c22-21(26)16-6-7-20(24-12-16)27-19-5-1-4-17-14-25(10-8-18(17)19)13-15-3-2-9-23-11-15/h1-7,9,11-12H,8,10,13-14H2,(H2,22,26)
InChIKeyFNKCBQIQNCNSLB-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.93
Rot. Bonds5

About 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide

6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide (PubChem CID 68750583) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide
PubChem CID68750583
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2cccc3c2CCN(Cc2cccnc2)C3)nc1
InChIInChI=1S/C21H20N4O2/c22-21(26)16-6-7-20(24-12-16)27-19-5-1-4-17-14-25(10-8-18(17)19)13-15-3-2-9-23-11-15/h1-7,9,11-12H,8,10,13-14H2,(H2,22,26)
InChIKeyFNKCBQIQNCNSLB-UHFFFAOYSA-N
XLogP2.93
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide
CID 68747034
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 71560809
3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 61015450
6-[[2-(2-phenylethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 66673107
5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381914
6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide
CID 59730327
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carbothioamide
CID 71560810
6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 66673367
5-(prop-2-enoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
CID 155832693
2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
5-(cyclopropylmethoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 171688737

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide (CID 68750583) is 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2cccc3c2CCN(Cc2cccnc2)C3)nc1.
What is the InChIKey of 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide?
The InChIKey is FNKCBQIQNCNSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-21(26)16-6-7-20(24-12-16)27-19-5-1-4-17-14-25(10-8-18(17)19)13-15-3-2-9-23-11-15/h1-7,9,11-12H,8,10,13-14H2,(H2,22,26).
What are the key properties of 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide?
6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 68750583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).