N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C28H30F3N5O4 — CID 11272937

IUPACN-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(OCCC4CCNCC4)c3C(F)(F)F)cc2)ccn1
InChIInChI=1S/C28H30F3N5O4/c1-32-26(37)23-17-21(11-15-34-23)40-20-7-5-19(6-8-20)35-27(38)36-22-3-2-4-24(25(22)28(29,30)31)39-16-12-18-9-13-33-14-10-18/h2-8,11,15,17-18,33H,9-10,12-14,16H2,1H3,(H,32,37)(H2,35,36,38)
InChIKeyRNCBDOGJASZXFB-UHFFFAOYSA-N
MW557.57 g/mol
LogP5.66
Rot. Bonds9

About N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 11272937) has the molecular formula C28H30F3N5O4 and a molecular weight of 557.57 g/mol. Its IUPAC name is N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID11272937
Molecular FormulaC28H30F3N5O4
Molecular Weight557.57 g/mol
Exact Mass557.22
IUPAC NameN-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(OCCC4CCNCC4)c3C(F)(F)F)cc2)ccn1
InChIInChI=1S/C28H30F3N5O4/c1-32-26(37)23-17-21(11-15-34-23)40-20-7-5-19(6-8-20)35-27(38)36-22-3-2-4-24(25(22)28(29,30)31)39-16-12-18-9-13-33-14-10-18/h2-8,11,15,17-18,33H,9-10,12-14,16H2,1H3,(H,32,37)(H2,35,36,38)
InChIKeyRNCBDOGJASZXFB-UHFFFAOYSA-N
XLogP5.66
TPSA113.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.57
LogP ≤ 55.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69491484
N-methyl-4-[4-[[2-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919781
4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69491587
N-methyl-4-[4-[[2-(2-piperazin-1-ylethoxy)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 69490272
4-[4-[[4-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919833
N-methyl-4-[4-[[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919791
4-[4-[[2-chloro-3-(2-piperazin-1-ylethoxy)-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69491472
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
N-methyl-4-[3-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919866
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
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-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 11272937) is N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(OCCC4CCNCC4)c3C(F)(F)F)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is RNCBDOGJASZXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O4/c1-32-26(37)23-17-21(11-15-34-23)40-20-7-5-19(6-8-20)35-27(38)36-22-3-2-4-24(25(22)28(29,30)31)39-16-12-18-9-13-33-14-10-18/h2-8,11,15,17-18,33H,9-10,12-14,16H2,1H3,(H,32,37)(H2,35,36,38).
What are the key properties of N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 557.57 g/mol, XLogP of 5.66, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 11272937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).