ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate

C20H26N4O2 — CID 155064021

IUPACethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate
SMILES[H]/N=C(/CCCCCNc1cccc(-c2ccnc(OC)c2)c1)O/C(C)=N/[H]
InChIInChI=1S/C20H26N4O2/c1-15(21)26-19(22)9-4-3-5-11-23-18-8-6-7-16(13-18)17-10-12-24-20(14-17)25-2/h6-8,10,12-14,21-23H,3-5,9,11H2,1-2H3/b21-15+,22-19-
InChIKeyWRNJYSBGLKXUAB-FKXIPDHQSA-N
MW354.45 g/mol
LogP4.72
Rot. Bonds9

About ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate

ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate (PubChem CID 155064021) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate.

Molecular Properties

Compound Nameethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate
PubChem CID155064021
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Nameethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate
SMILES[H]/N=C(/CCCCCNc1cccc(-c2ccnc(OC)c2)c1)O/C(C)=N/[H]
InChIInChI=1S/C20H26N4O2/c1-15(21)26-19(22)9-4-3-5-11-23-18-8-6-7-16(13-18)17-10-12-24-20(14-17)25-2/h6-8,10,12-14,21-23H,3-5,9,11H2,1-2H3/b21-15+,22-19-
InChIKeyWRNJYSBGLKXUAB-FKXIPDHQSA-N
XLogP4.72
TPSA91.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
ethyl 3-(3-methylanilino)propanimidate
CID 45097004
ethyl 3-(3-chloroanilino)propanimidate
CID 134890828
3-(2-methoxy-4-pyridinyl)-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]aniline
CID 154683613
2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
CID 83205251
7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid
CID 66290880
4-(5-methoxypentylamino)pyridine-2-carbothioamide
CID 114130390
N,N'-bis(3-phenylphenyl)propane-1,3-diamine
CID 22968041
N-hexyl-3-methoxyaniline
CID 15500485
N-[(1-aminocyclobutyl)methyl]-2-methoxypyridin-4-amine
CID 103354198
4-(2,6-dichlorophenyl)-2-methoxypyridine
CID 118852441
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 170970806

Frequently Asked Questions

What is the IUPAC name of ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate?
The IUPAC name of ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate (CID 155064021) is ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate.
What is the SMILES notation for ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate?
The canonical SMILES for ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate is [H]/N=C(/CCCCCNc1cccc(-c2ccnc(OC)c2)c1)O/C(C)=N/[H].
What is the InChIKey of ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate?
The InChIKey is WRNJYSBGLKXUAB-FKXIPDHQSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(21)26-19(22)9-4-3-5-11-23-18-8-6-7-16(13-18)17-10-12-24-20(14-17)25-2/h6-8,10,12-14,21-23H,3-5,9,11H2,1-2H3/b21-15+,22-19-.
What are the key properties of ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate?
ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate has a molecular weight of 354.45 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl 6-[3-(2-methoxy-4-pyridinyl)anilino]hexanimidate is sourced from PubChem (CID 155064021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).