3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea

C14H19N5O2 — CID 86793436

IUPAC3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea
SMILESCOc1ccc(C)nc1NC(=O)N(C)CCn1cccn1
InChIInChI=1S/C14H19N5O2/c1-11-5-6-12(21-3)13(16-11)17-14(20)18(2)9-10-19-8-4-7-15-19/h4-8H,9-10H2,1-3H3,(H,16,17,20)
InChIKeySPJDYFYRWMWMBI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.76
Rot. Bonds5

About 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea

3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea (PubChem CID 86793436) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea
PubChem CID86793436
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea
SMILESCOc1ccc(C)nc1NC(=O)N(C)CCn1cccn1
InChIInChI=1S/C14H19N5O2/c1-11-5-6-12(21-3)13(16-11)17-14(20)18(2)9-10-19-8-4-7-15-19/h4-8H,9-10H2,1-3H3,(H,16,17,20)
InChIKeySPJDYFYRWMWMBI-UHFFFAOYSA-N
XLogP1.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea (CID 86793436) is 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea is COc1ccc(C)nc1NC(=O)N(C)CCn1cccn1.
What is the InChIKey of 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea?
The InChIKey is SPJDYFYRWMWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11-5-6-12(21-3)13(16-11)17-14(20)18(2)9-10-19-8-4-7-15-19/h4-8H,9-10H2,1-3H3,(H,16,17,20).
What are the key properties of 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea?
3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea has a molecular weight of 289.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-6-methyl-2-pyridinyl)-1-methyl-1-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 86793436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).