6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline

C34H34F6N6O7 — CID 158050226

IUPAC6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
SMILESNc1ccc(OC(F)(F)F)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)nc1.O=C(O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H16F3N3O3.C10H12N2O3.C7H6F3NO/c18-17(19,20)26-14-4-2-13(3-5-14)22-16(24)12-1-6-15(21-11-12)23-7-9-25-10-8-23;13-10(14)8-1-2-9(11-7-8)12-3-5-15-6-4-12;8-7(9,10)12-6-3-1-5(11)2-4-6/h1-6,11H,7-10H2,(H,22,24);1-2,7H,3-6H2,(H,13,14);1-4H,11H2
InChIKeyFJJSEAKGHVOBMQ-UHFFFAOYSA-N
MW752.67 g/mol
LogP5.85
Rot. Bonds7

About 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline

6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline (PubChem CID 158050226) has the molecular formula C34H34F6N6O7 and a molecular weight of 752.67 g/mol. Its IUPAC name is 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
PubChem CID158050226
Molecular FormulaC34H34F6N6O7
Molecular Weight752.67 g/mol
Exact Mass752.24
IUPAC Name6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
SMILESNc1ccc(OC(F)(F)F)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)nc1.O=C(O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H16F3N3O3.C10H12N2O3.C7H6F3NO/c18-17(19,20)26-14-4-2-13(3-5-14)22-16(24)12-1-6-15(21-11-12)23-7-9-25-10-8-23;13-10(14)8-1-2-9(11-7-8)12-3-5-15-6-4-12;8-7(9,10)12-6-3-1-5(11)2-4-6/h1-6,11H,7-10H2,(H,22,24);1-2,7H,3-6H2,(H,13,14);1-4H,11H2
InChIKeyFJJSEAKGHVOBMQ-UHFFFAOYSA-N
XLogP5.85
TPSA161.60 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.67
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 109153445
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CID 86248826
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600768
(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
CID 37325010
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707
6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 18142338
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CID 3975213
N'-(4-fluorobenzoyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46697479

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline?
The IUPAC name of 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline (CID 158050226) is 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline.
What is the SMILES notation for 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline?
The canonical SMILES for 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline is Nc1ccc(OC(F)(F)F)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)nc1.O=C(O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline?
The InChIKey is FJJSEAKGHVOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3.C10H12N2O3.C7H6F3NO/c18-17(19,20)26-14-4-2-13(3-5-14)22-16(24)12-1-6-15(21-11-12)23-7-9-25-10-8-23;13-10(14)8-1-2-9(11-7-8)12-3-5-15-6-4-12;8-7(9,10)12-6-3-1-5(11)2-4-6/h1-6,11H,7-10H2,(H,22,24);1-2,7H,3-6H2,(H,13,14);1-4H,11H2.
What are the key properties of 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline?
6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline has a molecular weight of 752.67 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline is sourced from PubChem (CID 158050226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).