1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea

C19H22F2N4O2 — CID 55702030

IUPAC1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
SMILESCC1CN(c2ccc(CNC(=O)Nc3ccc(F)c(F)c3)cn2)CC(C)O1
InChIInChI=1S/C19H22F2N4O2/c1-12-10-25(11-13(2)27-12)18-6-3-14(8-22-18)9-23-19(26)24-15-4-5-16(20)17(21)7-15/h3-8,12-13H,9-11H2,1-2H3,(H2,23,24,26)
InChIKeyNETPHGHYYPGUOF-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.30
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea

1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea (PubChem CID 55702030) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
PubChem CID55702030
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
SMILESCC1CN(c2ccc(CNC(=O)Nc3ccc(F)c(F)c3)cn2)CC(C)O1
InChIInChI=1S/C19H22F2N4O2/c1-12-10-25(11-13(2)27-12)18-6-3-14(8-22-18)9-23-19(26)24-15-4-5-16(20)17(21)7-15/h3-8,12-13H,9-11H2,1-2H3,(H2,23,24,26)
InChIKeyNETPHGHYYPGUOF-UHFFFAOYSA-N
XLogP3.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702001
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 55794605
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 86933242
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139
1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 94066593
1-(2-cyano-4-fluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 78894419
4-(cyclopropylcarbamoylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55839328
1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
4-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylcarbamoylamino]-N,3-dimethylbenzamide
CID 55740946
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55722359
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47861764
1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94075682

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea (CID 55702030) is 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea is CC1CN(c2ccc(CNC(=O)Nc3ccc(F)c(F)c3)cn2)CC(C)O1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
The InChIKey is NETPHGHYYPGUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-12-10-25(11-13(2)27-12)18-6-3-14(8-22-18)9-23-19(26)24-15-4-5-16(20)17(21)7-15/h3-8,12-13H,9-11H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea?
1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea has a molecular weight of 376.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 55702030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).