3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide

C61H64F3N9O9 — CID 122539643

IUPAC3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide
SMILESC[C@@H]1CN(CCCONC(=O)c2cc(-c3ccc(F)cc3)ccn2)C[C@H](C)O1.N#Cc1cccc(OCCOc2c(-c3ccc(F)cc3)ccnc2C(N)=O)c1.O=C(Nc1ccc(F)cc1)c1ccc(OCCCN2CCOCC2)cn1
InChIInChI=1S/C21H26FN3O3.C21H16FN3O3.C19H22FN3O3/c1-15-13-25(14-16(2)28-15)10-3-11-27-24-21(26)20-12-18(8-9-23-20)17-4-6-19(22)7-5-17;22-16-6-4-15(5-7-16)18-8-9-25-19(21(24)26)20(18)28-11-10-27-17-3-1-2-14(12-17)13-23;20-15-2-4-16(5-3-15)22-19(24)18-7-6-17(14-21-18)26-11-1-8-23-9-12-25-13-10-23/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3,(H,24,26);1-9,12H,10-11H2,(H2,24,26);2-7,14H,1,8-13H2,(H,22,24)/t15-,16+;;
InChIKeyLMCQUSGPESQRPI-TYIJTUDGSA-N
MW1124.23 g/mol
LogP8.94
Rot. Bonds21

About 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide

3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide (PubChem CID 122539643) has the molecular formula C61H64F3N9O9 and a molecular weight of 1124.23 g/mol. Its IUPAC name is 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide
PubChem CID122539643
Molecular FormulaC61H64F3N9O9
Molecular Weight1124.23 g/mol
Exact Mass1123.48
IUPAC Name3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide
SMILESC[C@@H]1CN(CCCONC(=O)c2cc(-c3ccc(F)cc3)ccn2)C[C@H](C)O1.N#Cc1cccc(OCCOc2c(-c3ccc(F)cc3)ccnc2C(N)=O)c1.O=C(Nc1ccc(F)cc1)c1ccc(OCCCN2CCOCC2)cn1
InChIInChI=1S/C21H26FN3O3.C21H16FN3O3.C19H22FN3O3/c1-15-13-25(14-16(2)28-15)10-3-11-27-24-21(26)20-12-18(8-9-23-20)17-4-6-19(22)7-5-17;22-16-6-4-15(5-7-16)18-8-9-25-19(21(24)26)20(18)28-11-10-27-17-3-1-2-14(12-17)13-23;20-15-2-4-16(5-3-15)22-19(24)18-7-6-17(14-21-18)26-11-1-8-23-9-12-25-13-10-23/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3,(H,24,26);1-9,12H,10-11H2,(H2,24,26);2-7,14H,1,8-13H2,(H,22,24)/t15-,16+;;
InChIKeyLMCQUSGPESQRPI-TYIJTUDGSA-N
XLogP8.94
TPSA225.61 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001124.23
LogP ≤ 58.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide?
The IUPAC name of 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide (CID 122539643) is 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide.
What is the SMILES notation for 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide?
The canonical SMILES for 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide is C[C@@H]1CN(CCCONC(=O)c2cc(-c3ccc(F)cc3)ccn2)C[C@H](C)O1.N#Cc1cccc(OCCOc2c(-c3ccc(F)cc3)ccnc2C(N)=O)c1.O=C(Nc1ccc(F)cc1)c1ccc(OCCCN2CCOCC2)cn1.
What is the InChIKey of 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide?
The InChIKey is LMCQUSGPESQRPI-TYIJTUDGSA-N. The full InChI is InChI=1S/C21H26FN3O3.C21H16FN3O3.C19H22FN3O3/c1-15-13-25(14-16(2)28-15)10-3-11-27-24-21(26)20-12-18(8-9-23-20)17-4-6-19(22)7-5-17;22-16-6-4-15(5-7-16)18-8-9-25-19(21(24)26)20(18)28-11-10-27-17-3-1-2-14(12-17)13-23;20-15-2-4-16(5-3-15)22-19(24)18-7-6-17(14-21-18)26-11-1-8-23-9-12-25-13-10-23/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3,(H,24,26);1-9,12H,10-11H2,(H2,24,26);2-7,14H,1,8-13H2,(H,22,24)/t15-,16+;;.
What are the key properties of 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide?
3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide has a molecular weight of 1124.23 g/mol, XLogP of 8.94, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide;N-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide is sourced from PubChem (CID 122539643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).