N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

C23H26N4O3 — CID 135210465

IUPACN-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide
SMILESCC1CN(c2cc(C(=O)Nc3cccc(C#N)c3)c3c(n2)CCOCC3)CC(C)O1
InChIInChI=1S/C23H26N4O3/c1-15-13-27(14-16(2)30-15)22-11-20(19-6-8-29-9-7-21(19)26-22)23(28)25-18-5-3-4-17(10-18)12-24/h3-5,10-11,15-16H,6-9,13-14H2,1-2H3,(H,25,28)
InChIKeyMVBNKZNISYQVRE-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.93
Rot. Bonds3

About N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide (PubChem CID 135210465) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide
PubChem CID135210465
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide
SMILESCC1CN(c2cc(C(=O)Nc3cccc(C#N)c3)c3c(n2)CCOCC3)CC(C)O1
InChIInChI=1S/C23H26N4O3/c1-15-13-27(14-16(2)30-15)22-11-20(19-6-8-29-9-7-21(19)26-22)23(28)25-18-5-3-4-17(10-18)12-24/h3-5,10-11,15-16H,6-9,13-14H2,1-2H3,(H,25,28)
InChIKeyMVBNKZNISYQVRE-UHFFFAOYSA-N
XLogP2.93
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(5-fluoro-3-pyridinyl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide
CID 126615919
2-(2,6-dimethylmorpholin-4-yl)-N-(6-methoxypyridazin-3-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide
CID 145261252
N-(4-cyano-2-pyridinyl)-2-(3-fluoropyrrolidin-1-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide
CID 135210439
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(Z)-3-(methylamino)prop-2-enimidoyl]-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide
CID 147450184
N-(3-cyanophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55329273
N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8899697
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(2-methylpyrimidin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide
CID 126617517
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide (CID 135210465) is N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide is CC1CN(c2cc(C(=O)Nc3cccc(C#N)c3)c3c(n2)CCOCC3)CC(C)O1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide?
The InChIKey is MVBNKZNISYQVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-13-27(14-16(2)30-15)22-11-20(19-6-8-29-9-7-21(19)26-22)23(28)25-18-5-3-4-17(10-18)12-24/h3-5,10-11,15-16H,6-9,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide?
N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 135210465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).