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

C18H24N4O2 — CID 75425426

IUPAC1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCC(c1ccco1)N(C(=O)NCc1cccnc1N(C)C)C1CC1
InChIInChI=1S/C18H24N4O2/c1-13(16-7-5-11-24-16)22(15-8-9-15)18(23)20-12-14-6-4-10-19-17(14)21(2)3/h4-7,10-11,13,15H,8-9,12H2,1-3H3,(H,20,23)
InChIKeyDVJXLYJLVUAHFL-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.18
Rot. Bonds6

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

1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea (PubChem CID 75425426) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
PubChem CID75425426
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
SMILESCC(c1ccco1)N(C(=O)NCc1cccnc1N(C)C)C1CC1
InChIInChI=1S/C18H24N4O2/c1-13(16-7-5-11-24-16)22(15-8-9-15)18(23)20-12-14-6-4-10-19-17(14)21(2)3/h4-7,10-11,13,15H,8-9,12H2,1-3H3,(H,20,23)
InChIKeyDVJXLYJLVUAHFL-UHFFFAOYSA-N
XLogP3.18
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea (CID 75425426) is 1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea is CC(c1ccco1)N(C(=O)NCc1cccnc1N(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea?
The InChIKey is DVJXLYJLVUAHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(16-7-5-11-24-16)22(15-8-9-15)18(23)20-12-14-6-4-10-19-17(14)21(2)3/h4-7,10-11,13,15H,8-9,12H2,1-3H3,(H,20,23).
What are the key properties of 1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea?
1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea has a molecular weight of 328.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 75425426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).