4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide

C25H24ClF3N4O3 — CID 118919151

IUPAC4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1cc(Oc2ccnc(C(=O)N(C)C)c2)ccc1N(C)C(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H24ClF3N4O3/c1-15-12-17(36-18-10-11-30-21(14-18)23(34)31(2)3)7-9-22(15)33(5)24(35)32(4)16-6-8-20(26)19(13-16)25(27,28)29/h6-14H,1-5H3
InChIKeyFVFXTIJGFCAKON-UHFFFAOYSA-N
MW520.94 g/mol
LogP6.25
Rot. Bonds5

About 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide

4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 118919151) has the molecular formula C25H24ClF3N4O3 and a molecular weight of 520.94 g/mol. Its IUPAC name is 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide
PubChem CID118919151
Molecular FormulaC25H24ClF3N4O3
Molecular Weight520.94 g/mol
Exact Mass520.15
IUPAC Name4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1cc(Oc2ccnc(C(=O)N(C)C)c2)ccc1N(C)C(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H24ClF3N4O3/c1-15-12-17(36-18-10-11-30-21(14-18)23(34)31(2)3)7-9-22(15)33(5)24(35)32(4)16-6-8-20(26)19(13-16)25(27,28)29/h6-14H,1-5H3
InChIKeyFVFXTIJGFCAKON-UHFFFAOYSA-N
XLogP6.25
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.94
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 62113277
4-[4-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid
CID 87279788
4-(4-bromophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 43395714
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-deuterio-N-methyl-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 46213002
4-[2-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]pyridine-2-carboxamide
CID 70978045
4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N,N-dimethylpyridine-2-carboxamide
CID 10311596
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N,N-diethylpyridine-2-carboxamide
CID 123438277
1-[4-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-hydroxymethyl]amino]phenoxy]-2-pyridinyl]-2-methylpropan-1-one
CID 155148517
4-[4-[N-carbamoyl-4-chloro-3-(trifluoromethyl)anilino]phenoxy]-N-methylpyridine-2-carboxamide;naphthalene-1,5-disulfonic acid
CID 87327509
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-(3,3,3-trideuteriopropanoyl)-4-pyridinyl]oxy]phenyl]urea
CID 89402801
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[(pyridine-2-carbonylamino)carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566684
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-oxopyridine-2-carboxamide
CID 151804255

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide (CID 118919151) is 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide is Cc1cc(Oc2ccnc(C(=O)N(C)C)c2)ccc1N(C)C(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is FVFXTIJGFCAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N4O3/c1-15-12-17(36-18-10-11-30-21(14-18)23(34)31(2)3)7-9-22(15)33(5)24(35)32(4)16-6-8-20(26)19(13-16)25(27,28)29/h6-14H,1-5H3.
What are the key properties of 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide?
4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 520.94 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 118919151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).