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

C22H30N4O4 — CID 55794605

IUPAC1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)ccc1OC
InChIInChI=1S/C22H30N4O4/c1-5-29-20-10-18(7-8-19(20)28-4)25-22(27)24-12-17-6-9-21(23-11-17)26-13-15(2)30-16(3)14-26/h6-11,15-16H,5,12-14H2,1-4H3,(H2,24,25,27)
InChIKeyVHNXDCGQPOQOES-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.42
Rot. Bonds7

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

1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea (PubChem CID 55794605) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea
PubChem CID55794605
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)ccc1OC
InChIInChI=1S/C22H30N4O4/c1-5-29-20-10-18(7-8-19(20)28-4)25-22(27)24-12-17-6-9-21(23-11-17)26-13-15(2)30-16(3)14-26/h6-11,15-16H,5,12-14H2,1-4H3,(H2,24,25,27)
InChIKeyVHNXDCGQPOQOES-UHFFFAOYSA-N
XLogP3.42
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702030
1-[4-(difluoromethoxy)phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702001
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-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 55741973
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 94066593
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 86933242
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55709712
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55747114
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

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea?
The IUPAC name of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea (CID 55794605) is 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea.
What is the SMILES notation for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea?
The canonical SMILES for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea is CCOc1cc(NC(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)ccc1OC.
What is the InChIKey of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea?
The InChIKey is VHNXDCGQPOQOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-5-29-20-10-18(7-8-19(20)28-4)25-22(27)24-12-17-6-9-21(23-11-17)26-13-15(2)30-16(3)14-26/h6-11,15-16H,5,12-14H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea?
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea has a molecular weight of 414.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methoxyphenyl)urea is sourced from PubChem (CID 55794605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).