1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea

C19H18FN3O2 — CID 142291403

IUPAC1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
SMILESCc1cc(Oc2ccc(NC(=O)NC3=CCCC=C3)c(F)c2)ccn1
InChIInChI=1S/C19H18FN3O2/c1-13-11-16(9-10-21-13)25-15-7-8-18(17(20)12-15)23-19(24)22-14-5-3-2-4-6-14/h3,5-12H,2,4H2,1H3,(H2,22,23,24)
InChIKeyUCLVRRBPVAGJNW-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.68
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea

1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea (PubChem CID 142291403) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
PubChem CID142291403
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
SMILESCc1cc(Oc2ccc(NC(=O)NC3=CCCC=C3)c(F)c2)ccn1
InChIInChI=1S/C19H18FN3O2/c1-13-11-16(9-10-21-13)25-15-7-8-18(17(20)12-15)23-19(24)22-14-5-3-2-4-6-14/h3,5-12H,2,4H2,1H3,(H2,22,23,24)
InChIKeyUCLVRRBPVAGJNW-UHFFFAOYSA-N
XLogP4.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine
CID 161167639
1-[1-[4-(2-aminoethoxy)phenyl]-3-tert-butylpyrazol-5-yl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 11613280
1-[3-tert-butyl-1-[3-(3-hydroxypropoxy)phenyl]pyrazol-5-yl]-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 11606236
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
(2S)-2-[[4-[3-tert-butyl-5-[[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]carbamoylamino]pyrazol-1-yl]phenyl]methylamino]propanamide
CID 67022331
N-[4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233698
1-(2-fluoro-4-pyridin-4-yloxyphenyl)-3-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 72948635
[2-fluoro-4-[[2-(3-methoxy-3-methylazetidin-1-yl)-4-pyridinyl]oxy]phenyl]carbamic acid
CID 174192059
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)urea
CID 66729319
4-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
CID 58385355
1-[3-chloro-5-(4-methylimidazol-1-yl)phenyl]-3-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 66729364
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
CID 176549230

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea (CID 142291403) is 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea is Cc1cc(Oc2ccc(NC(=O)NC3=CCCC=C3)c(F)c2)ccn1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea?
The InChIKey is UCLVRRBPVAGJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-11-16(9-10-21-13)25-15-7-8-18(17(20)12-15)23-19(24)22-14-5-3-2-4-6-14/h3,5-12H,2,4H2,1H3,(H2,22,23,24).
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea?
1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea has a molecular weight of 339.37 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea is sourced from PubChem (CID 142291403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).