5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide

C21H21N5O2 — CID 127038981

IUPAC5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccc2c(c1)CCN(c1cnc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C21H21N5O2/c1-14-4-3-5-19(24-14)25-21(27)18-11-23-20(12-22-18)26-9-8-15-10-17(28-2)7-6-16(15)13-26/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,25,27)
InChIKeyIKBZKFVBFOICDL-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.00
Rot. Bonds4

About 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide

5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 127038981) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID127038981
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccc2c(c1)CCN(c1cnc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C21H21N5O2/c1-14-4-3-5-19(24-14)25-21(27)18-11-23-20(12-22-18)26-9-8-15-10-17(28-2)7-6-16(15)13-26/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,25,27)
InChIKeyIKBZKFVBFOICDL-UHFFFAOYSA-N
XLogP3.00
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide (CID 127038981) is 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide is COc1ccc2c(c1)CCN(c1cnc(C(=O)Nc3cccc(C)n3)cn1)C2.
What is the InChIKey of 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is IKBZKFVBFOICDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-4-3-5-19(24-14)25-21(27)18-11-23-20(12-22-18)26-9-8-15-10-17(28-2)7-6-16(15)13-26/h3-7,10-12H,8-9,13H2,1-2H3,(H,24,25,27).
What are the key properties of 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide?
5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 127038981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).