1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea

C14H23N3O2 — CID 47160556

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
SMILESCCOc1ncccc1CNC(=O)NC(CC)CC
InChIInChI=1S/C14H23N3O2/c1-4-12(5-2)17-14(18)16-10-11-8-7-9-15-13(11)19-6-3/h7-9,12H,4-6,10H2,1-3H3,(H2,16,17,18)
InChIKeyVTFWGSNCPVCSTD-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.47
Rot. Bonds7

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea

1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea (PubChem CID 47160556) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
PubChem CID47160556
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
SMILESCCOc1ncccc1CNC(=O)NC(CC)CC
InChIInChI=1S/C14H23N3O2/c1-4-12(5-2)17-14(18)16-10-11-8-7-9-15-13(11)19-6-3/h7-9,12H,4-6,10H2,1-3H3,(H2,16,17,18)
InChIKeyVTFWGSNCPVCSTD-UHFFFAOYSA-N
XLogP2.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
CID 42891466
1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51082870
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006399
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520352
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea (CID 47160556) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea is CCOc1ncccc1CNC(=O)NC(CC)CC.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea?
The InChIKey is VTFWGSNCPVCSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-12(5-2)17-14(18)16-10-11-8-7-9-15-13(11)19-6-3/h7-9,12H,4-6,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea has a molecular weight of 265.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea is sourced from PubChem (CID 47160556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).