1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea

C12H17N3O — CID 116657152

IUPAC1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
SMILESCCc1cccnc1CNC(=O)NC1CC1
InChIInChI=1S/C12H17N3O/c1-2-9-4-3-7-13-11(9)8-14-12(16)15-10-5-6-10/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,15,16)
InChIKeyARDYUBFKAMCZOS-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.61
Rot. Bonds4

About 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea

1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea (PubChem CID 116657152) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
PubChem CID116657152
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
SMILESCCc1cccnc1CNC(=O)NC1CC1
InChIInChI=1S/C12H17N3O/c1-2-9-4-3-7-13-11(9)8-14-12(16)15-10-5-6-10/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,15,16)
InChIKeyARDYUBFKAMCZOS-UHFFFAOYSA-N
XLogP1.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea (CID 116657152) is 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea is CCc1cccnc1CNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea?
The InChIKey is ARDYUBFKAMCZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-9-4-3-7-13-11(9)8-14-12(16)15-10-5-6-10/h3-4,7,10H,2,5-6,8H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea?
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea has a molecular weight of 219.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 116657152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).