4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide

C22H22N4O2 — CID 171537255

IUPAC4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide
SMILES[H]/N=C/c1ccc(Oc2ccnc(-c3ccc(C(N)=O)c(C)c3)c2)cc1NCC
InChIInChI=1S/C22H22N4O2/c1-3-25-21-11-17(6-4-16(21)13-23)28-18-8-9-26-20(12-18)15-5-7-19(22(24)27)14(2)10-15/h4-13,23,25H,3H2,1-2H3,(H2,24,27)/b23-13+
InChIKeyWFPMKKKNFISQKR-YDZHTSKRSA-N
MW374.44 g/mol
LogP4.38
Rot. Bonds7

About 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide

4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide (PubChem CID 171537255) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide
PubChem CID171537255
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide
SMILES[H]/N=C/c1ccc(Oc2ccnc(-c3ccc(C(N)=O)c(C)c3)c2)cc1NCC
InChIInChI=1S/C22H22N4O2/c1-3-25-21-11-17(6-4-16(21)13-23)28-18-8-9-26-20(12-18)15-5-7-19(22(24)27)14(2)10-15/h4-13,23,25H,3H2,1-2H3,(H2,24,27)/b23-13+
InChIKeyWFPMKKKNFISQKR-YDZHTSKRSA-N
XLogP4.38
TPSA101.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.38
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

2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-N-methylbenzamide
CID 171537685
ethane;4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-2-methyl-N-(1-methylazetidin-3-yl)benzamide
CID 171537501
1-[4-[4-(3-amino-4-methanimidoylphenoxy)-2-pyridinyl]-2-ethylphenyl]ethanone
CID 174251684
ethane;4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]-2-methyl-N-(1-methylpiperidin-4-yl)benzamide;hydrofluoride
CID 171537404
ethane;4-[4-[[6-ethanimidoyl-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-methylbenzamide
CID 171537133
ethane;2-methyl-4-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-pyridinyl]benzamide
CID 171537294
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
4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide
CID 171537783
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide (CID 171537255) is 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide is [H]/N=C/c1ccc(Oc2ccnc(-c3ccc(C(N)=O)c(C)c3)c2)cc1NCC.
What is the InChIKey of 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide?
The InChIKey is WFPMKKKNFISQKR-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-25-21-11-17(6-4-16(21)13-23)28-18-8-9-26-20(12-18)15-5-7-19(22(24)27)14(2)10-15/h4-13,23,25H,3H2,1-2H3,(H2,24,27)/b23-13+.
What are the key properties of 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide?
4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 171537255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).