3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

C24H29F3N4O4 — CID 68881140

IUPAC3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCc1c(C(=O)N(C)C)cc(C(=O)NCCCN2CCOCC2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N4O4/c1-16-19(22(33)29(2)3)15-20(21(32)28-8-5-9-30-10-12-35-13-11-30)23(34)31(16)18-7-4-6-17(14-18)24(25,26)27/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,28,32)
InChIKeyUQVZCTNXOQSEAQ-UHFFFAOYSA-N
MW494.51 g/mol
LogP2.32
Rot. Bonds7

About 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (PubChem CID 68881140) has the molecular formula C24H29F3N4O4 and a molecular weight of 494.51 g/mol. Its IUPAC name is 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
PubChem CID68881140
Molecular FormulaC24H29F3N4O4
Molecular Weight494.51 g/mol
Exact Mass494.21
IUPAC Name3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCc1c(C(=O)N(C)C)cc(C(=O)NCCCN2CCOCC2)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N4O4/c1-16-19(22(33)29(2)3)15-20(21(32)28-8-5-9-30-10-12-35-13-11-30)23(34)31(16)18-7-4-6-17(14-18)24(25,26)27/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,28,32)
InChIKeyUQVZCTNXOQSEAQ-UHFFFAOYSA-N
XLogP2.32
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide with MolForge

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Related Compounds

methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate
CID 68881412
5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68881463
5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68884088
5,6-dimethyl-N-[2-[methyl-[2-[[6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]amino]ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;ethane
CID 143779395
2,5-dimethyl-1-pyridin-2-yl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-3-carboxamide
CID 55633991
5-(4-cyanophenyl)sulfinyl-N-[2-[4-[7-[4-[2-[[5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]ethyl]piperazin-1-yl]-4-oxoheptyl]piperazin-1-yl]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;5-(4-cyanophenyl)sulfinyl-N-[2-[4-[2-[4-[4-[5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-4-oxobutyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 158752555
N-[3-(azepan-1-yl)propyl]-3-oxo-4-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 69144994
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
3-N-(2-hydroxyethyl)-3-N,2-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68880505
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55716702

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (CID 68881140) is 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is Cc1c(C(=O)N(C)C)cc(C(=O)NCCCN2CCOCC2)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The InChIKey is UQVZCTNXOQSEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O4/c1-16-19(22(33)29(2)3)15-20(21(32)28-8-5-9-30-10-12-35-13-11-30)23(34)31(16)18-7-4-6-17(14-18)24(25,26)27/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,28,32).
What are the key properties of 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 494.51 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 68881140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).