4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C25H24N4O3 — CID 172670127

IUPAC4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc2cccc(OCCNC(=O)c3c(C)ccn(Cc4cccnc4)c3=O)c2n1
InChIInChI=1S/C25H24N4O3/c1-17-10-13-29(16-19-5-4-11-26-15-19)25(31)22(17)24(30)27-12-14-32-21-7-3-6-20-9-8-18(2)28-23(20)21/h3-11,13,15H,12,14,16H2,1-2H3,(H,27,30)
InChIKeyOHQFISITXRQEAQ-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.27
Rot. Bonds7

About 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172670127) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172670127
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc2cccc(OCCNC(=O)c3c(C)ccn(Cc4cccnc4)c3=O)c2n1
InChIInChI=1S/C25H24N4O3/c1-17-10-13-29(16-19-5-4-11-26-15-19)25(31)22(17)24(30)27-12-14-32-21-7-3-6-20-9-8-18(2)28-23(20)21/h3-11,13,15H,12,14,16H2,1-2H3,(H,27,30)
InChIKeyOHQFISITXRQEAQ-UHFFFAOYSA-N
XLogP3.27
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 172670127) is 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccc2cccc(OCCNC(=O)c3c(C)ccn(Cc4cccnc4)c3=O)c2n1.
What is the InChIKey of 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OHQFISITXRQEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-17-10-13-29(16-19-5-4-11-26-15-19)25(31)22(17)24(30)27-12-14-32-21-7-3-6-20-9-8-18(2)28-23(20)21/h3-11,13,15H,12,14,16H2,1-2H3,(H,27,30).
What are the key properties of 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172670127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).