1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea

C14H21N3O2 — CID 47042560

IUPAC1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea
SMILESCOc1ncccc1NC(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C14H21N3O2/c1-10(2)9-17(11-6-7-11)14(18)16-12-5-4-8-15-13(12)19-3/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyDTZBIKKYHYPZFM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.74
Rot. Bonds5

About 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea

1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea (PubChem CID 47042560) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea
PubChem CID47042560
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea
SMILESCOc1ncccc1NC(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C14H21N3O2/c1-10(2)9-17(11-6-7-11)14(18)16-12-5-4-8-15-13(12)19-3/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyDTZBIKKYHYPZFM-UHFFFAOYSA-N
XLogP2.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea (CID 47042560) is 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea is COc1ncccc1NC(=O)N(CC(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea?
The InChIKey is DTZBIKKYHYPZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)9-17(11-6-7-11)14(18)16-12-5-4-8-15-13(12)19-3/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea?
1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea has a molecular weight of 263.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(2-methylpropyl)urea is sourced from PubChem (CID 47042560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).