N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C24H23F3N4O3 — CID 157417733

IUPACN-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(C)(F)C(C)(F)F)c3)cc2)ccn1
InChIInChI=1S/C24H23F3N4O3/c1-23(25,24(2,26)27)15-5-4-6-17(13-15)31-22(33)30-16-7-9-18(10-8-16)34-19-11-12-29-20(14-19)21(32)28-3/h4-14H,1-3H3,(H,28,32)(H2,30,31,33)
InChIKeyHNVWYKCRKFEKDI-UHFFFAOYSA-N
MW472.47 g/mol
LogP5.72
Rot. Bonds7

About N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 157417733) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID157417733
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC NameN-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(C)(F)C(C)(F)F)c3)cc2)ccn1
InChIInChI=1S/C24H23F3N4O3/c1-23(25,24(2,26)27)15-5-4-6-17(13-15)31-22(33)30-16-7-9-18(10-8-16)34-19-11-12-29-20(14-19)21(32)28-3/h4-14H,1-3H3,(H,28,32)(H2,30,31,33)
InChIKeyHNVWYKCRKFEKDI-UHFFFAOYSA-N
XLogP5.72
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
N-(2-hydroxyethyl)formamide;N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143211467
4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
4-[3-fluoro-4-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[2-fluoro-5-(1,1,2,2,3,3-hexafluorobutyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[2-fluoro-5-(1,1,2,2-tetrafluoropropyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[2-fluoro-5-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,3,3,4,4,4-hexafluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 159725073
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11476310
4-[4-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919812

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 157417733) is N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(C)(F)C(C)(F)F)c3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is HNVWYKCRKFEKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-23(25,24(2,26)27)15-5-4-6-17(13-15)31-22(33)30-16-7-9-18(10-8-16)34-19-11-12-29-20(14-19)21(32)28-3/h4-14H,1-3H3,(H,28,32)(H2,30,31,33).
What are the key properties of N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 5.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 157417733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).