1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea

C18H19N5O2 — CID 75456153

IUPAC1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCc1ccc(Oc2ccc(NC(=O)Nc3ccn(C)n3)cn2)cc1C
InChIInChI=1S/C18H19N5O2/c1-12-4-6-15(10-13(12)2)25-17-7-5-14(11-19-17)20-18(24)21-16-8-9-23(3)22-16/h4-11H,1-3H3,(H2,20,21,22,24)
InChIKeyFZDYDQFBNZTJLT-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.87
Rot. Bonds4

About 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea

1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 75456153) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID75456153
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCc1ccc(Oc2ccc(NC(=O)Nc3ccn(C)n3)cn2)cc1C
InChIInChI=1S/C18H19N5O2/c1-12-4-6-15(10-13(12)2)25-17-7-5-14(11-19-17)20-18(24)21-16-8-9-23(3)22-16/h4-11H,1-3H3,(H2,20,21,22,24)
InChIKeyFZDYDQFBNZTJLT-UHFFFAOYSA-N
XLogP3.87
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
CID 154846570
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849038
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55973160
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51123694
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55787508
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 71884973
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55750200
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55750359
2-(3,4-dimethylphenoxy)-5-methylpyridine
CID 123670346

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea (CID 75456153) is 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea is Cc1ccc(Oc2ccc(NC(=O)Nc3ccn(C)n3)cn2)cc1C.
What is the InChIKey of 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is FZDYDQFBNZTJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-4-6-15(10-13(12)2)25-17-7-5-14(11-19-17)20-18(24)21-16-8-9-23(3)22-16/h4-11H,1-3H3,(H2,20,21,22,24).
What are the key properties of 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea?
1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 337.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 75456153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).