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

C27H28F3N3O3 — CID 90408770

IUPACN-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C(C)C)c1
InChIInChI=1S/C27H28F3N3O3/c1-17(2)33-16-20(14-24(26(33)35)32-9-11-36-12-10-32)23-15-22(8-7-18(23)3)31-25(34)19-5-4-6-21(13-19)27(28,29)30/h4-8,13-17H,9-12H2,1-3H3,(H,31,34)
InChIKeyQGEZANVCDSIDGU-UHFFFAOYSA-N
MW499.53 g/mol
LogP5.51
Rot. Bonds5

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

N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408770) has the molecular formula C27H28F3N3O3 and a molecular weight of 499.53 g/mol. Its IUPAC name is N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90408770
Molecular FormulaC27H28F3N3O3
Molecular Weight499.53 g/mol
Exact Mass499.21
IUPAC NameN-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C(C)C)c1
InChIInChI=1S/C27H28F3N3O3/c1-17(2)33-16-20(14-24(26(33)35)32-9-11-36-12-10-32)23-15-22(8-7-18(23)3)31-25(34)19-5-4-6-21(13-19)27(28,29)30/h4-8,13-17H,9-12H2,1-3H3,(H,31,34)
InChIKeyQGEZANVCDSIDGU-UHFFFAOYSA-N
XLogP5.51
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (CID 90408770) is N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C(C)C)c1.
What is the InChIKey of N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QGEZANVCDSIDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O3/c1-17(2)33-16-20(14-24(26(33)35)32-9-11-36-12-10-32)23-15-22(8-7-18(23)3)31-25(34)19-5-4-6-21(13-19)27(28,29)30/h4-8,13-17H,9-12H2,1-3H3,(H,31,34).
What are the key properties of N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 499.53 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).