N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C25H26F4N4O3 — CID 68729215

IUPACN-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CCC(C)N1C(=O)c1ccc(CNC(=O)C2(NC(=O)c3cncc(C(F)(F)F)c3)CC2)c(F)c1
InChIInChI=1S/C25H26F4N4O3/c1-14-3-4-15(2)33(14)22(35)16-5-6-17(20(26)10-16)12-31-23(36)24(7-8-24)32-21(34)18-9-19(13-30-11-18)25(27,28)29/h5-6,9-11,13-15H,3-4,7-8,12H2,1-2H3,(H,31,36)(H,32,34)
InChIKeyXUWZAZUBWJEBRI-UHFFFAOYSA-N
MW506.50 g/mol
LogP3.83
Rot. Bonds6

About N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 68729215) has the molecular formula C25H26F4N4O3 and a molecular weight of 506.50 g/mol. Its IUPAC name is N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID68729215
Molecular FormulaC25H26F4N4O3
Molecular Weight506.50 g/mol
Exact Mass506.19
IUPAC NameN-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CCC(C)N1C(=O)c1ccc(CNC(=O)C2(NC(=O)c3cncc(C(F)(F)F)c3)CC2)c(F)c1
InChIInChI=1S/C25H26F4N4O3/c1-14-3-4-15(2)33(14)22(35)16-5-6-17(20(26)10-16)12-31-23(36)24(7-8-24)32-21(34)18-9-19(13-30-11-18)25(27,28)29/h5-6,9-11,13-15H,3-4,7-8,12H2,1-2H3,(H,31,36)(H,32,34)
InChIKeyXUWZAZUBWJEBRI-UHFFFAOYSA-N
XLogP3.83
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 69268257
N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 42606995
N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 71025754
5-bromo-N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 42606411
N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2,3-difluorophenyl]ethyl]carbamoyl]cyclopropyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 42605950
N-[(2,4-difluorophenyl)methyl]-4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]piperidine-4-carboxamide
CID 23850406
1-[(2-fluorophenyl)methyl]-N-[1-[5-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]cyclopropane-1-carboxamide
CID 166342463
N-(1-carbamothioyl-4-methylcyclohexyl)-5-fluoropyridine-3-carboxamide
CID 104785855
5-amino-N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 46898751
methyl 4-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]phenoxy]-3-(trifluoromethyl)benzoate
CID 66792184
N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2958275
5-chloro-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70854608

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 68729215) is N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide is CC1CCC(C)N1C(=O)c1ccc(CNC(=O)C2(NC(=O)c3cncc(C(F)(F)F)c3)CC2)c(F)c1.
What is the InChIKey of N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XUWZAZUBWJEBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N4O3/c1-14-3-4-15(2)33(14)22(35)16-5-6-17(20(26)10-16)12-31-23(36)24(7-8-24)32-21(34)18-9-19(13-30-11-18)25(27,28)29/h5-6,9-11,13-15H,3-4,7-8,12H2,1-2H3,(H,31,36)(H,32,34).
What are the key properties of N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 506.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 68729215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).