methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate

C26H31N7O3 — CID 139420147

IUPACmethanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate
SMILES[H]/N=C(\O/C=N/[H])c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(C)c1
InChIInChI=1S/C26H31N7O3/c1-17-12-18(25(28)35-16-27)15-31-26(17)32-19-2-4-21(5-3-19)36-23-14-20(33-8-10-34-11-9-33)13-22-24(23)30-7-6-29-22/h6-7,12-16,19,21,27-28H,2-5,8-11H2,1H3,(H,31,32)/b27-16+,28-25-
InChIKeyKPGYRCZETJUXMC-DGTJGKBUSA-N
MW489.58 g/mol
LogP3.92
Rot. Bonds7

About methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate

methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate (PubChem CID 139420147) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate.

Molecular Properties

Compound Namemethanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate
PubChem CID139420147
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Namemethanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate
SMILES[H]/N=C(\O/C=N/[H])c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(C)c1
InChIInChI=1S/C26H31N7O3/c1-17-12-18(25(28)35-16-27)15-31-26(17)32-19-2-4-21(5-3-19)36-23-14-20(33-8-10-34-11-9-33)13-22-24(23)30-7-6-29-22/h6-7,12-16,19,21,27-28H,2-5,8-11H2,1H3,(H,31,32)/b27-16+,28-25-
InChIKeyKPGYRCZETJUXMC-DGTJGKBUSA-N
XLogP3.92
TPSA129.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate with MolForge

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Launch Full Analysis

Related Compounds

3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335619
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
CID 121335923
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335616
5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335808
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 121335869
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133
5-fluoro-6-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 121335874
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 138546172
2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine
CID 121335912

Frequently Asked Questions

What is the IUPAC name of methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate?
The IUPAC name of methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate (CID 139420147) is methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate.
What is the SMILES notation for methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate?
The canonical SMILES for methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate is [H]/N=C(\O/C=N/[H])c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(C)c1.
What is the InChIKey of methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate?
The InChIKey is KPGYRCZETJUXMC-DGTJGKBUSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-17-12-18(25(28)35-16-27)15-31-26(17)32-19-2-4-21(5-3-19)36-23-14-20(33-8-10-34-11-9-33)13-22-24(23)30-7-6-29-22/h6-7,12-16,19,21,27-28H,2-5,8-11H2,1H3,(H,31,32)/b27-16+,28-25-.
What are the key properties of methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate?
methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate has a molecular weight of 489.58 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate is sourced from PubChem (CID 139420147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).