methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate

C26H33N5O4 — CID 139426788

IUPACmethyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate
SMILESC=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2cc(C(=O)OC)ccn2)CC1
InChIInChI=1S/C26H33N5O4/c1-4-28-22-16-20(31-11-13-34-14-12-31)17-23(25(22)27-2)35-21-7-5-19(6-8-21)30-24-15-18(9-10-29-24)26(32)33-3/h4,9-10,15-17,19,21H,2,5-8,11-14H2,1,3H3,(H,29,30)/b28-4+
InChIKeyVHIIEFGOZREUHO-KLCRIKRISA-N
MW479.58 g/mol
LogP4.56
Rot. Bonds8

About methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate

methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate (PubChem CID 139426788) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate
PubChem CID139426788
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Namemethyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate
SMILESC=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2cc(C(=O)OC)ccn2)CC1
InChIInChI=1S/C26H33N5O4/c1-4-28-22-16-20(31-11-13-34-14-12-31)17-23(25(22)27-2)35-21-7-5-19(6-8-21)30-24-15-18(9-10-29-24)26(32)33-3/h4,9-10,15-17,19,21H,2,5-8,11-14H2,1,3H3,(H,29,30)/b28-4+
InChIKeyVHIIEFGOZREUHO-KLCRIKRISA-N
XLogP4.56
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate with MolForge

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Related Compounds

N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine
CID 134604932
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine
CID 134566397
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
CID 139426738
2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
CID 121335604
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335607
6-N-methyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4,6-diamine;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-4-carboxylic acid;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-propan-2-ylpyrimidin-2-amine
CID 161442099
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
CID 121335836
1-methyl-8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342847
2-N,2-N-dimethyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335685
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
3-methyl-5-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-7-morpholin-4-ylquinazolin-4-one
CID 139330620

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate (CID 139426788) is methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate is C=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2cc(C(=O)OC)ccn2)CC1.
What is the InChIKey of methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate?
The InChIKey is VHIIEFGOZREUHO-KLCRIKRISA-N. The full InChI is InChI=1S/C26H33N5O4/c1-4-28-22-16-20(31-11-13-34-14-12-31)17-23(25(22)27-2)35-21-7-5-19(6-8-21)30-24-15-18(9-10-29-24)26(32)33-3/h4,9-10,15-17,19,21H,2,5-8,11-14H2,1,3H3,(H,29,30)/b28-4+.
What are the key properties of methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate?
methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate has a molecular weight of 479.58 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 139426788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).