2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide

C23H24N4O2 — CID 171537685

IUPAC2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide
SMILES[H]/N=C/c1ccc(Oc2ccnc(-c3ccc(C(=O)NC)c(CC)c3)c2)cc1NC
InChIInChI=1S/C23H24N4O2/c1-4-15-11-16(6-8-20(15)23(28)26-3)22-13-19(9-10-27-22)29-18-7-5-17(14-24)21(12-18)25-2/h5-14,24-25H,4H2,1-3H3,(H,26,28)/b24-14+
InChIKeyZKDYYRSEDFVLHG-ZVHZXABRSA-N
MW388.47 g/mol
LogP4.50
Rot. Bonds7

About 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide

2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide (PubChem CID 171537685) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide
PubChem CID171537685
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide
SMILES[H]/N=C/c1ccc(Oc2ccnc(-c3ccc(C(=O)NC)c(CC)c3)c2)cc1NC
InChIInChI=1S/C23H24N4O2/c1-4-15-11-16(6-8-20(15)23(28)26-3)22-13-19(9-10-27-22)29-18-7-5-17(14-24)21(12-18)25-2/h5-14,24-25H,4H2,1-3H3,(H,26,28)/b24-14+
InChIKeyZKDYYRSEDFVLHG-ZVHZXABRSA-N
XLogP4.50
TPSA87.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)cyclobutyl]-2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]benzamide
CID 171537571
N-[(2S,3S)-1,2-dimethylazetidin-3-yl]-2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]benzamide
CID 171537423
2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-(2-oxaspiro[3.3]heptan-6-yl)benzamide
CID 171537594
2-ethyl-N-(1-ethylpyrrolidin-3-yl)-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]benzamide
CID 174247797
2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]benzamide
CID 171537504
1-[4-[4-(3-amino-4-methanimidoylphenoxy)-2-pyridinyl]-2-ethylphenyl]ethanone
CID 174251684
4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide
CID 171537255
ethane;4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-2-methyl-N-(1-methylazetidin-3-yl)benzamide
CID 171537501
ethane;4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-2-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrofluoride
CID 171537404
4-[4-[4-ethanimidoyl-3-fluoro-5-(methylamino)phenoxy]-2-pyridinyl]-2-ethylbenzamide
CID 171537317
2-ethyl-N-[(Z)-3-(methylamino)prop-2-enimidoyl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 174250704
2-(azetidin-3-yl)-5-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-3H-isoindol-1-one;ethane
CID 171537631

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide?
The IUPAC name of 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide (CID 171537685) is 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide is [H]/N=C/c1ccc(Oc2ccnc(-c3ccc(C(=O)NC)c(CC)c3)c2)cc1NC.
What is the InChIKey of 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide?
The InChIKey is ZKDYYRSEDFVLHG-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-15-11-16(6-8-20(15)23(28)26-3)22-13-19(9-10-27-22)29-18-7-5-17(14-24)21(12-18)25-2/h5-14,24-25H,4H2,1-3H3,(H,26,28)/b24-14+.
What are the key properties of 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide?
2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 171537685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).