3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C50H50F3N7O6 — CID 130425761

IUPAC3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCc1cccc(NC(=O)c2ccc(CCn3cc(-c4cc(C(=O)Nc5cc(C(F)(F)F)ccn5)ccc4C)cc(N4CCOCC4)c3=O)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)c1
InChIInChI=1S/C50H50F3N7O6/c1-4-33-6-5-7-40(24-33)55-46(61)36-11-10-34(42(26-36)37-27-43(48(63)57(3)30-37)58-16-20-65-21-17-58)13-15-60-31-38(28-44(49(60)64)59-18-22-66-23-19-59)41-25-35(9-8-32(41)2)47(62)56-45-29-39(12-14-54-45)50(51,52)53/h5-12,14,24-31H,4,13,15-23H2,1-3H3,(H,55,61)(H,54,56,62)
InChIKeyQQRFNPIZTOAGNM-UHFFFAOYSA-N
MW901.99 g/mol
LogP7.59
Rot. Bonds12

About 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 130425761) has the molecular formula C50H50F3N7O6 and a molecular weight of 901.99 g/mol. Its IUPAC name is 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID130425761
Molecular FormulaC50H50F3N7O6
Molecular Weight901.99 g/mol
Exact Mass901.38
IUPAC Name3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCc1cccc(NC(=O)c2ccc(CCn3cc(-c4cc(C(=O)Nc5cc(C(F)(F)F)ccn5)ccc4C)cc(N4CCOCC4)c3=O)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)c1
InChIInChI=1S/C50H50F3N7O6/c1-4-33-6-5-7-40(24-33)55-46(61)36-11-10-34(42(26-36)37-27-43(48(63)57(3)30-37)58-16-20-65-21-17-58)13-15-60-31-38(28-44(49(60)64)59-18-22-66-23-19-59)41-25-35(9-8-32(41)2)47(62)56-45-29-39(12-14-54-45)50(51,52)53/h5-12,14,24-31H,4,13,15-23H2,1-3H3,(H,55,61)(H,54,56,62)
InChIKeyQQRFNPIZTOAGNM-UHFFFAOYSA-N
XLogP7.59
TPSA140.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.99
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 130425761) is 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CCc1cccc(NC(=O)c2ccc(CCn3cc(-c4cc(C(=O)Nc5cc(C(F)(F)F)ccn5)ccc4C)cc(N4CCOCC4)c3=O)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)c1.
What is the InChIKey of 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is QQRFNPIZTOAGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50F3N7O6/c1-4-33-6-5-7-40(24-33)55-46(61)36-11-10-34(42(26-36)37-27-43(48(63)57(3)30-37)58-16-20-65-21-17-58)13-15-60-31-38(28-44(49(60)64)59-18-22-66-23-19-59)41-25-35(9-8-32(41)2)47(62)56-45-29-39(12-14-54-45)50(51,52)53/h5-12,14,24-31H,4,13,15-23H2,1-3H3,(H,55,61)(H,54,56,62).
What are the key properties of 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 901.99 g/mol, XLogP of 7.59, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]ethyl]-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 130425761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).