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

C21H22N4O3 — CID 113014714

IUPAC1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
SMILESCOc1ccc(OCCNc2ccc(NC(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-18-8-10-19(11-9-18)28-14-13-22-20-12-7-17(15-23-20)25-21(26)24-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,22,23)(H2,24,25,26)
InChIKeyXLBZINYJNBXYOZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.23
Rot. Bonds8

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

1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea (PubChem CID 113014714) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
PubChem CID113014714
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
SMILESCOc1ccc(OCCNc2ccc(NC(=O)Nc3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-18-8-10-19(11-9-18)28-14-13-22-20-12-7-17(15-23-20)25-21(26)24-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,22,23)(H2,24,25,26)
InChIKeyXLBZINYJNBXYOZ-UHFFFAOYSA-N
XLogP4.23
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.23
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

N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478
1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160906
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide
CID 82034205
N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109160901

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea (CID 113014714) is 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea is COc1ccc(OCCNc2ccc(NC(=O)Nc3ccccc3)cn2)cc1.
What is the InChIKey of 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea?
The InChIKey is XLBZINYJNBXYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-8-10-19(11-9-18)28-14-13-22-20-12-7-17(15-23-20)25-21(26)24-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,22,23)(H2,24,25,26).
What are the key properties of 1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea?
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea has a molecular weight of 378.43 g/mol, XLogP of 4.23, 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-phenylurea is sourced from PubChem (CID 113014714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).