1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea

C14H19N5O2 — CID 86793478

IUPAC1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea
SMILESCOc1ccc(C)nc1NC(=O)NCCn1cc(C)cn1
InChIInChI=1S/C14H19N5O2/c1-10-8-16-19(9-10)7-6-15-14(20)18-13-12(21-3)5-4-11(2)17-13/h4-5,8-9H,6-7H2,1-3H3,(H2,15,17,18,20)
InChIKeyWNNKWCWXCSOICX-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.73
Rot. Bonds5

About 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea

1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea (PubChem CID 86793478) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea
PubChem CID86793478
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea
SMILESCOc1ccc(C)nc1NC(=O)NCCn1cc(C)cn1
InChIInChI=1S/C14H19N5O2/c1-10-8-16-19(9-10)7-6-15-14(20)18-13-12(21-3)5-4-11(2)17-13/h4-5,8-9H,6-7H2,1-3H3,(H2,15,17,18,20)
InChIKeyWNNKWCWXCSOICX-UHFFFAOYSA-N
XLogP1.73
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea (CID 86793478) is 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea is COc1ccc(C)nc1NC(=O)NCCn1cc(C)cn1.
What is the InChIKey of 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea?
The InChIKey is WNNKWCWXCSOICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-8-16-19(9-10)7-6-15-14(20)18-13-12(21-3)5-4-11(2)17-13/h4-5,8-9H,6-7H2,1-3H3,(H2,15,17,18,20).
What are the key properties of 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea?
1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea has a molecular weight of 289.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-6-methyl-2-pyridinyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 86793478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).