1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea

C21H21N3O3 — CID 139697424

IUPAC1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea
SMILESNC(=O)N(O)Cc1ccc(C(OCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O3/c22-21(25)24(26)14-16-8-10-19(11-9-16)20(18-6-2-1-3-7-18)27-15-17-5-4-12-23-13-17/h1-13,20,26H,14-15H2,(H2,22,25)
InChIKeySTDHMMUPSUVOMU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.66
Rot. Bonds7

About 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea

1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea (PubChem CID 139697424) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea
PubChem CID139697424
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea
SMILESNC(=O)N(O)Cc1ccc(C(OCc2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N3O3/c22-21(25)24(26)14-16-8-10-19(11-9-16)20(18-6-2-1-3-7-18)27-15-17-5-4-12-23-13-17/h1-13,20,26H,14-15H2,(H2,22,25)
InChIKeySTDHMMUPSUVOMU-UHFFFAOYSA-N
XLogP3.66
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[phenyl-[(4-phenylphenyl)methoxy]methyl]pyridine
CID 13236918
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
methyl 4-[[[(2S)-2-amino-2-phenylacetyl]-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 139608966
4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 116553063
2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038
1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea
CID 21260607
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
4-[[2-phenylethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 91784965
3,4-dihydroxy-2,5-bis(phenylmethoxy)-N,N'-bis(pyridin-3-ylmethyl)hexanediamide
CID 20978769
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea (CID 139697424) is 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea is NC(=O)N(O)Cc1ccc(C(OCc2cccnc2)c2ccccc2)cc1.
What is the InChIKey of 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea?
The InChIKey is STDHMMUPSUVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c22-21(25)24(26)14-16-8-10-19(11-9-16)20(18-6-2-1-3-7-18)27-15-17-5-4-12-23-13-17/h1-13,20,26H,14-15H2,(H2,22,25).
What are the key properties of 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea?
1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea has a molecular weight of 363.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[[4-[phenyl(pyridin-3-ylmethoxy)methyl]phenyl]methyl]urea is sourced from PubChem (CID 139697424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).