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

C24H26N4O2 — CID 71624699

IUPACN-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCc4cc(OC(C)C)ccc4C3)nc2)n1
InChIInChI=1S/C24H26N4O2/c1-16(2)30-21-9-7-20-15-28(12-11-18(20)13-21)23-10-8-19(14-25-23)24(29)27-22-6-4-5-17(3)26-22/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,26,27,29)
InChIKeyCDXFPLNJOMIDLY-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.39
Rot. Bonds5

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

N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 71624699) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID71624699
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(N3CCc4cc(OC(C)C)ccc4C3)nc2)n1
InChIInChI=1S/C24H26N4O2/c1-16(2)30-21-9-7-20-15-28(12-11-18(20)13-21)23-10-8-19(14-25-23)24(29)27-22-6-4-5-17(3)26-22/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,26,27,29)
InChIKeyCDXFPLNJOMIDLY-UHFFFAOYSA-N
XLogP4.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 71624699) is N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(N3CCc4cc(OC(C)C)ccc4C3)nc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is CDXFPLNJOMIDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16(2)30-21-9-7-20-15-28(12-11-18(20)13-21)23-10-8-19(14-25-23)24(29)27-22-6-4-5-17(3)26-22/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,26,27,29).
What are the key properties of N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-6-(6-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.39, 5 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-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71624699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).