N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen

C25H23F4N3O5 — CID 158292118

IUPACN-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2(C)CC2)ncc1C(=O)Nc1ccc(F)c(C(N)=O)c1.[H][H]
InChIInChI=1S/C25H21F4N3O5.H2/c1-24(7-8-24)21-11-19(36-18-6-4-14(10-20(18)35-2)37-25(27,28)29)16(12-31-21)23(34)32-13-3-5-17(26)15(9-13)22(30)33;/h3-6,9-12H,7-8H2,1-2H3,(H2,30,33)(H,32,34);1H
InChIKeyGLMCAEGCDWZKMZ-UHFFFAOYSA-N
MW521.47 g/mol
LogP5.57
Rot. Bonds8

About N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen

N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158292118) has the molecular formula C25H23F4N3O5 and a molecular weight of 521.47 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen
PubChem CID158292118
Molecular FormulaC25H23F4N3O5
Molecular Weight521.47 g/mol
Exact Mass521.16
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C2(C)CC2)ncc1C(=O)Nc1ccc(F)c(C(N)=O)c1.[H][H]
InChIInChI=1S/C25H21F4N3O5.H2/c1-24(7-8-24)21-11-19(36-18-6-4-14(10-20(18)35-2)37-25(27,28)29)16(12-31-21)23(34)32-13-3-5-17(26)15(9-13)22(30)33;/h3-6,9-12H,7-8H2,1-2H3,(H2,30,33)(H,32,34);1H
InChIKeyGLMCAEGCDWZKMZ-UHFFFAOYSA-N
XLogP5.57
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862
N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 137406698
N-(3-acetyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[(1S,2S)-2-methylcyclopropyl]pyridine-3-carboxamide
CID 148707251
N-(3-carbamoylphenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137406579
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-[2-methoxy-4-(trifluoromethoxy)phenoxy]phenyl]benzamide
CID 175011717
6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 137406306
N-[2-(1-aminoethenyl)-4-pyridinyl]-6-tert-butyl-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 160753957
N-(4-carbamoyl-3-fluorophenyl)-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzamide
CID 137406615
4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-N-pyridin-4-ylbenzamide
CID 137408801
N-(3-carbamoyl-4-fluorophenyl)-2,3-difluoro-6-[4-(trifluoromethoxy)phenoxy]benzamide
CID 137406357
4-[[2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406803

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen (CID 158292118) is N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen is COc1cc(OC(F)(F)F)ccc1Oc1cc(C2(C)CC2)ncc1C(=O)Nc1ccc(F)c(C(N)=O)c1.[H][H].
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is GLMCAEGCDWZKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O5.H2/c1-24(7-8-24)21-11-19(36-18-6-4-14(10-20(18)35-2)37-25(27,28)29)16(12-31-21)23(34)32-13-3-5-17(26)15(9-13)22(30)33;/h3-6,9-12H,7-8H2,1-2H3,(H2,30,33)(H,32,34);1H.
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen?
N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 521.47 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(1-methylcyclopropyl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158292118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).