1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea

C18H24N4O3 — CID 118722861

IUPAC1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea
SMILESCCc1ncccc1Oc1cc(CCCOC)cnc1NC(=O)NC
InChIInChI=1S/C18H24N4O3/c1-4-14-15(8-5-9-20-14)25-16-11-13(7-6-10-24-3)12-21-17(16)22-18(23)19-2/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H2,19,21,22,23)
InChIKeyRBKTXKCXSZTHRB-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.16
Rot. Bonds8

About 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea

1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea (PubChem CID 118722861) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea
PubChem CID118722861
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea
SMILESCCc1ncccc1Oc1cc(CCCOC)cnc1NC(=O)NC
InChIInChI=1S/C18H24N4O3/c1-4-14-15(8-5-9-20-14)25-16-11-13(7-6-10-24-3)12-21-17(16)22-18(23)19-2/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H2,19,21,22,23)
InChIKeyRBKTXKCXSZTHRB-UHFFFAOYSA-N
XLogP3.16
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea (CID 118722861) is 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea is CCc1ncccc1Oc1cc(CCCOC)cnc1NC(=O)NC.
What is the InChIKey of 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea?
The InChIKey is RBKTXKCXSZTHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-14-15(8-5-9-20-14)25-16-11-13(7-6-10-24-3)12-21-17(16)22-18(23)19-2/h5,8-9,11-12H,4,6-7,10H2,1-3H3,(H2,19,21,22,23).
What are the key properties of 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea?
1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea has a molecular weight of 344.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 118722861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).