6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide

C23H26N4O3 — CID 70719540

IUPAC6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1)C1CCOCC1
InChIInChI=1S/C23H26N4O3/c1-27(19-8-10-30-11-9-19)15-18-6-7-20(23(29)26-18)22(28)25-14-16-12-17-4-2-3-5-21(17)24-13-16/h2-7,12-13,19H,8-11,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyZVXOETMKAZXCIP-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.46
Rot. Bonds6

About 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide

6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 70719540) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID70719540
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1)C1CCOCC1
InChIInChI=1S/C23H26N4O3/c1-27(19-8-10-30-11-9-19)15-18-6-7-20(23(29)26-18)22(28)25-14-16-12-17-4-2-3-5-21(17)24-13-16/h2-7,12-13,19H,8-11,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyZVXOETMKAZXCIP-UHFFFAOYSA-N
XLogP2.46
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide (CID 70719540) is 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide is CN(Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1)C1CCOCC1.
What is the InChIKey of 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZVXOETMKAZXCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-27(19-8-10-30-11-9-19)15-18-6-7-20(23(29)26-18)22(28)25-14-16-12-17-4-2-3-5-21(17)24-13-16/h2-7,12-13,19H,8-11,14-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide?
6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(oxan-4-yl)amino]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70719540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).