4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C26H25ClF3N5O4 — CID 69491587

IUPAC4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)c(OC4CCNCC4)c3Cl)cc2)ccn1
InChIInChI=1S/C26H25ClF3N5O4/c1-31-24(36)21-14-18(10-13-33-21)38-16-4-2-15(3-5-16)34-25(37)35-20-7-6-19(26(28,29)30)23(22(20)27)39-17-8-11-32-12-9-17/h2-7,10,13-14,17,32H,8-9,11-12H2,1H3,(H,31,36)(H2,34,35,37)
InChIKeySPSYNQHXJPUVPV-UHFFFAOYSA-N
MW563.96 g/mol
LogP5.68
Rot. Bonds7

About 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 69491587) has the molecular formula C26H25ClF3N5O4 and a molecular weight of 563.96 g/mol. Its IUPAC name is 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID69491587
Molecular FormulaC26H25ClF3N5O4
Molecular Weight563.96 g/mol
Exact Mass563.15
IUPAC Name4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)c(OC4CCNCC4)c3Cl)cc2)ccn1
InChIInChI=1S/C26H25ClF3N5O4/c1-31-24(36)21-14-18(10-13-33-21)38-16-4-2-15(3-5-16)34-25(37)35-20-7-6-19(26(28,29)30)23(22(20)27)39-17-8-11-32-12-9-17/h2-7,10,13-14,17,32H,8-9,11-12H2,1H3,(H,31,36)(H2,34,35,37)
InChIKeySPSYNQHXJPUVPV-UHFFFAOYSA-N
XLogP5.68
TPSA113.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.96
LogP ≤ 55.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[4-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919833
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-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919781
4-[3-[[2-chloro-3-(2-piperazin-1-ylethoxy)-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69490256
N-methyl-4-[4-[[3-(2-piperidin-4-ylethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11272937
N-methyl-4-[4-[[2-(2-piperazin-1-ylethoxy)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 69490272
4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69490349
butanedioic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 44598971
N-methyl-4-[4-[[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919791
carbamoyl 4-[4-[[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 90766752
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;ethane;ethenylphosphane
CID 143776464
4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813322

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 69491587) is 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)c(OC4CCNCC4)c3Cl)cc2)ccn1.
What is the InChIKey of 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is SPSYNQHXJPUVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N5O4/c1-31-24(36)21-14-18(10-13-33-21)38-16-4-2-15(3-5-16)34-25(37)35-20-7-6-19(26(28,29)30)23(22(20)27)39-17-8-11-32-12-9-17/h2-7,10,13-14,17,32H,8-9,11-12H2,1H3,(H,31,36)(H2,34,35,37).
What are the key properties of 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 563.96 g/mol, XLogP of 5.68, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 69491587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).