6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide

C21H20N4O2 — CID 127038980

IUPAC6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCc4cc(O)ccc4C3)nc2)n1
InChIInChI=1S/C21H20N4O2/c1-14-3-2-4-19(23-14)24-21(27)16-6-8-20(22-12-16)25-10-9-15-11-18(26)7-5-17(15)13-25/h2-8,11-12,26H,9-10,13H2,1H3,(H,23,24,27)
InChIKeyLTZBFAYTFUJFIU-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.31
Rot. Bonds3

About 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide

6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 127038980) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID127038980
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCc4cc(O)ccc4C3)nc2)n1
InChIInChI=1S/C21H20N4O2/c1-14-3-2-4-19(23-14)24-21(27)16-6-8-20(22-12-16)25-10-9-15-11-18(26)7-5-17(15)13-25/h2-8,11-12,26H,9-10,13H2,1H3,(H,23,24,27)
InChIKeyLTZBFAYTFUJFIU-UHFFFAOYSA-N
XLogP3.31
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide (CID 127038980) is 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(N3CCc4cc(O)ccc4C3)nc2)n1.
What is the InChIKey of 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is LTZBFAYTFUJFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-3-2-4-19(23-14)24-21(27)16-6-8-20(22-12-16)25-10-9-15-11-18(26)7-5-17(15)13-25/h2-8,11-12,26H,9-10,13H2,1H3,(H,23,24,27).
What are the key properties of 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 127038980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).