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

C14H16N4O2 — CID 47159517

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
SMILESCCOc1ncccc1CNC(=O)Nc1cccnc1
InChIInChI=1S/C14H16N4O2/c1-2-20-13-11(5-3-8-16-13)9-17-14(19)18-12-6-4-7-15-10-12/h3-8,10H,2,9H2,1H3,(H2,17,18,19)
InChIKeyGTBPOVKXWGTJAB-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.20
Rot. Bonds5

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

1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea (PubChem CID 47159517) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
PubChem CID47159517
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
SMILESCCOc1ncccc1CNC(=O)Nc1cccnc1
InChIInChI=1S/C14H16N4O2/c1-2-20-13-11(5-3-8-16-13)9-17-14(19)18-12-6-4-7-15-10-12/h3-8,10H,2,9H2,1H3,(H2,17,18,19)
InChIKeyGTBPOVKXWGTJAB-UHFFFAOYSA-N
XLogP2.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
1-(2-chloro-4-methoxyphenyl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 86862849
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
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(8-ethylimino-3,7-diazabicyclo[4.2.0]octa-1,3,5-trien-4-yl)urea
CID 137094490
2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889821
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 55743685
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520352
1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea (CID 47159517) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea is CCOc1ncccc1CNC(=O)Nc1cccnc1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea?
The InChIKey is GTBPOVKXWGTJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-20-13-11(5-3-8-16-13)9-17-14(19)18-12-6-4-7-15-10-12/h3-8,10H,2,9H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea has a molecular weight of 272.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 47159517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).