[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea

C16H19N3O3 — CID 91251778

IUPAC[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea
SMILESCOCCOc1ccc(-c2cc(NC(N)=O)ccc2C)cn1
InChIInChI=1S/C16H19N3O3/c1-11-3-5-13(19-16(17)20)9-14(11)12-4-6-15(18-10-12)22-8-7-21-2/h3-6,9-10H,7-8H2,1-2H3,(H3,17,19,20)
InChIKeyNGCFZIHEFXZMOS-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.57
Rot. Bonds6

About [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea

[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea (PubChem CID 91251778) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea.

Molecular Properties

Compound Name[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea
PubChem CID91251778
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea
SMILESCOCCOc1ccc(-c2cc(NC(N)=O)ccc2C)cn1
InChIInChI=1S/C16H19N3O3/c1-11-3-5-13(19-16(17)20)9-14(11)12-4-6-15(18-10-12)22-8-7-21-2/h3-6,9-10H,7-8H2,1-2H3,(H3,17,19,20)
InChIKeyNGCFZIHEFXZMOS-UHFFFAOYSA-N
XLogP2.57
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
CID 54924715
6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
CID 61178172
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
2-(butan-2-ylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 60853381
1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea?
The IUPAC name of [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea (CID 91251778) is [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea.
What is the SMILES notation for [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea?
The canonical SMILES for [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea is COCCOc1ccc(-c2cc(NC(N)=O)ccc2C)cn1.
What is the InChIKey of [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea?
The InChIKey is NGCFZIHEFXZMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-3-5-13(19-16(17)20)9-14(11)12-4-6-15(18-10-12)22-8-7-21-2/h3-6,9-10H,7-8H2,1-2H3,(H3,17,19,20).
What are the key properties of [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea?
[3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea has a molecular weight of 301.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2-methoxyethoxy)-3-pyridinyl]-4-methylphenyl]urea is sourced from PubChem (CID 91251778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).