5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide

C30H25F4N5O4 — CID 16665534

IUPAC5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)c(C(=O)Nc2ccc(OCc3ccccn3)cc2)c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C30H25F4N5O4/c31-20-13-19(14-24(15-20)39-9-11-42-12-10-39)28(40)38-23-16-26(27(36-17-23)30(32,33)34)29(41)37-21-4-6-25(7-5-21)43-18-22-3-1-2-8-35-22/h1-8,13-17H,9-12,18H2,(H,37,41)(H,38,40)
InChIKeyHNEPRTQLRJFLJP-UHFFFAOYSA-N
MW595.55 g/mol
LogP5.55
Rot. Bonds8

About 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide

5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 16665534) has the molecular formula C30H25F4N5O4 and a molecular weight of 595.55 g/mol. Its IUPAC name is 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID16665534
Molecular FormulaC30H25F4N5O4
Molecular Weight595.55 g/mol
Exact Mass595.18
IUPAC Name5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)c(C(=O)Nc2ccc(OCc3ccccn3)cc2)c1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C30H25F4N5O4/c31-20-13-19(14-24(15-20)39-9-11-42-12-10-39)28(40)38-23-16-26(27(36-17-23)30(32,33)34)29(41)37-21-4-6-25(7-5-21)43-18-22-3-1-2-8-35-22/h1-8,13-17H,9-12,18H2,(H,37,41)(H,38,40)
InChIKeyHNEPRTQLRJFLJP-UHFFFAOYSA-N
XLogP5.55
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.55
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 16665534) is 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1cnc(C(F)(F)F)c(C(=O)Nc2ccc(OCc3ccccn3)cc2)c1)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HNEPRTQLRJFLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F4N5O4/c31-20-13-19(14-24(15-20)39-9-11-42-12-10-39)28(40)38-23-16-26(27(36-17-23)30(32,33)34)29(41)37-21-4-6-25(7-5-21)43-18-22-3-1-2-8-35-22/h1-8,13-17H,9-12,18H2,(H,37,41)(H,38,40).
What are the key properties of 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 595.55 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-N-[4-(pyridin-2-ylmethoxy)phenyl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 16665534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).