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

C28H26N4O2 — CID 71624700

IUPACN-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCc4cc(OCc5ccccc5)ccc4C3)nc2)n1
InChIInChI=1S/C28H26N4O2/c1-20-6-5-9-26(30-20)31-28(33)23-11-13-27(29-17-23)32-15-14-22-16-25(12-10-24(22)18-32)34-19-21-7-3-2-4-8-21/h2-13,16-17H,14-15,18-19H2,1H3,(H,30,31,33)
InChIKeySVXKUJNJEYABCJ-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.18
Rot. Bonds6

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

N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 71624700) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID71624700
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCc4cc(OCc5ccccc5)ccc4C3)nc2)n1
InChIInChI=1S/C28H26N4O2/c1-20-6-5-9-26(30-20)31-28(33)23-11-13-27(29-17-23)32-15-14-22-16-25(12-10-24(22)18-32)34-19-21-7-3-2-4-8-21/h2-13,16-17H,14-15,18-19H2,1H3,(H,30,31,33)
InChIKeySVXKUJNJEYABCJ-UHFFFAOYSA-N
XLogP5.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 71624700) is N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(N3CCc4cc(OCc5ccccc5)ccc4C3)nc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is SVXKUJNJEYABCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-20-6-5-9-26(30-20)31-28(33)23-11-13-27(29-17-23)32-15-14-22-16-25(12-10-24(22)18-32)34-19-21-7-3-2-4-8-21/h2-13,16-17H,14-15,18-19H2,1H3,(H,30,31,33).
What are the key properties of N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-6-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71624700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).