1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea

C15H19N3O3 — CID 53184960

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
SMILESCCOc1ncccc1CN(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H19N3O3/c1-3-20-14-12(6-4-8-16-14)11-18(2)15(19)17-10-13-7-5-9-21-13/h4-9H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyMNJBMNIWMDGMBG-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.41
Rot. Bonds6

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea

1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea (PubChem CID 53184960) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
PubChem CID53184960
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
SMILESCCOc1ncccc1CN(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H19N3O3/c1-3-20-14-12(6-4-8-16-14)11-18(2)15(19)17-10-13-7-5-9-21-13/h4-9H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyMNJBMNIWMDGMBG-UHFFFAOYSA-N
XLogP2.41
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
CID 53184961
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184952
3-cyclohexyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184953
2-ethoxy-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 29367228
1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
CID 53185034
1-[(4-bromothiophen-2-yl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 47236407
1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041330
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 53184935
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
CID 30925663
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353506
3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
CID 53185039

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea (CID 53184960) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea is CCOc1ncccc1CN(C)C(=O)NCc1ccco1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is MNJBMNIWMDGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-20-14-12(6-4-8-16-14)11-18(2)15(19)17-10-13-7-5-9-21-13/h4-9H,3,10-11H2,1-2H3,(H,17,19).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 289.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 53184960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).