1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea

C18H24N4O3 — CID 113014721

IUPAC1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
SMILESCOc1ccc(OCCNc2ccc(NC(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C18H24N4O3/c1-13(2)21-18(23)22-14-4-9-17(20-12-14)19-10-11-25-16-7-5-15(24-3)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H2,21,22,23)
InChIKeyZBFFJHAPASVKGQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.11
Rot. Bonds8

About 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea

1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea (PubChem CID 113014721) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
PubChem CID113014721
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
SMILESCOc1ccc(OCCNc2ccc(NC(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C18H24N4O3/c1-13(2)21-18(23)22-14-4-9-17(20-12-14)19-10-11-25-16-7-5-15(24-3)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H2,21,22,23)
InChIKeyZBFFJHAPASVKGQ-UHFFFAOYSA-N
XLogP3.11
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714
1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113044200
6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109151337
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009101
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide
CID 82034205
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160906

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea (CID 113014721) is 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea is COc1ccc(OCCNc2ccc(NC(=O)NC(C)C)cn2)cc1.
What is the InChIKey of 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea?
The InChIKey is ZBFFJHAPASVKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(2)21-18(23)22-14-4-9-17(20-12-14)19-10-11-25-16-7-5-15(24-3)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H2,21,22,23).
What are the key properties of 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea?
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea has a molecular weight of 344.42 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113014721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).