N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide

C26H24ClN5O2 — CID 59826586

IUPACN-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cn2)CC(C)O1
InChIInChI=1S/C26H24ClN5O2/c1-16-14-32(15-17(2)34-16)25-10-7-18(12-29-25)26(33)30-19-8-9-21(27)20(11-19)24-13-28-22-5-3-4-6-23(22)31-24/h3-13,16-17H,14-15H2,1-2H3,(H,30,33)
InChIKeyAIOYEFXCJSIOEJ-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.21
Rot. Bonds4

About N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide

N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide (PubChem CID 59826586) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
PubChem CID59826586
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC NameN-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cn2)CC(C)O1
InChIInChI=1S/C26H24ClN5O2/c1-16-14-32(15-17(2)34-16)25-10-7-18(12-29-25)26(33)30-19-8-9-21(27)20(11-19)24-13-28-22-5-3-4-6-23(22)31-24/h3-13,16-17H,14-15H2,1-2H3,(H,30,33)
InChIKeyAIOYEFXCJSIOEJ-UHFFFAOYSA-N
XLogP5.21
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 59826576
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 59826588
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-4-iodo-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 170125191
2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzamide
CID 90023188
N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 94146461
N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43071668
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 37317252
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837
N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 123950096
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 59826546

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide (CID 59826586) is N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide is CC1CN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4cnc5ccccc5n4)c3)cn2)CC(C)O1.
What is the InChIKey of N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
The InChIKey is AIOYEFXCJSIOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-16-14-32(15-17(2)34-16)25-10-7-18(12-29-25)26(33)30-19-8-9-21(27)20(11-19)24-13-28-22-5-3-4-6-23(22)31-24/h3-13,16-17H,14-15H2,1-2H3,(H,30,33).
What are the key properties of N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide has a molecular weight of 473.96 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 59826586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).