1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea

C20H25N3O3 — CID 97255743

IUPAC1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCO[C@@H](C)C3)cc2)nc1
InChIInChI=1S/C20H25N3O3/c1-14-3-8-19(21-12-14)26-18-6-4-17(5-7-18)23-20(24)22-13-16-9-10-25-15(2)11-16/h3-8,12,15-16H,9-11,13H2,1-2H3,(H2,22,23,24)/t15-,16+/m0/s1
InChIKeyOZLDIXGHGUPOKQ-JKSUJKDBSA-N
MW355.44 g/mol
LogP4.12
Rot. Bonds5

About 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea

1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea (PubChem CID 97255743) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
PubChem CID97255743
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCO[C@@H](C)C3)cc2)nc1
InChIInChI=1S/C20H25N3O3/c1-14-3-8-19(21-12-14)26-18-6-4-17(5-7-18)23-20(24)22-13-16-9-10-25-15(2)11-16/h3-8,12,15-16H,9-11,13H2,1-2H3,(H2,22,23,24)/t15-,16+/m0/s1
InChIKeyOZLDIXGHGUPOKQ-JKSUJKDBSA-N
XLogP4.12
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea with MolForge

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Related Compounds

1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 75440822
1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 86947728
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
CID 97255262
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 52517058
1-[4-(4-methoxyphenoxy)phenyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125156664
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
(2R)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-6-oxopiperidine-2-carboxamide
CID 146122029
1-[[(2R,4S)-2-methyloxan-4-yl]methyl]-3-quinolin-8-ylurea
CID 97255277
(3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one
CID 95626050
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 86947726

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The IUPAC name of 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea (CID 97255743) is 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea.
What is the SMILES notation for 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The canonical SMILES for 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea is Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCO[C@@H](C)C3)cc2)nc1.
What is the InChIKey of 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The InChIKey is OZLDIXGHGUPOKQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-3-8-19(21-12-14)26-18-6-4-17(5-7-18)23-20(24)22-13-16-9-10-25-15(2)11-16/h3-8,12,15-16H,9-11,13H2,1-2H3,(H2,22,23,24)/t15-,16+/m0/s1.
What are the key properties of 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea has a molecular weight of 355.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea is sourced from PubChem (CID 97255743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).