6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide

C25H24N4O2 — CID 42480664

IUPAC6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1
InChIInChI=1S/C25H24N4O2/c1-29(16-18-7-3-2-4-8-18)17-21-11-12-22(25(31)28-21)24(30)27-15-19-13-20-9-5-6-10-23(20)26-14-19/h2-14H,15-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyZHGGASAYIUSWRP-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.49
Rot. Bonds7

About 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide

6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 42480664) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID42480664
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1
InChIInChI=1S/C25H24N4O2/c1-29(16-18-7-3-2-4-8-18)17-21-11-12-22(25(31)28-21)24(30)27-15-19-13-20-9-5-6-10-23(20)26-14-19/h2-14H,15-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyZHGGASAYIUSWRP-UHFFFAOYSA-N
XLogP3.49
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide (CID 42480664) is 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide is CN(Cc1ccccc1)Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1.
What is the InChIKey of 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZHGGASAYIUSWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-29(16-18-7-3-2-4-8-18)17-21-11-12-22(25(31)28-21)24(30)27-15-19-13-20-9-5-6-10-23(20)26-14-19/h2-14H,15-17H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(methyl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42480664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).