1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea

C18H18N4O3 — CID 66813522

IUPAC1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea
SMILESCOCCNC(=O)Nc1cccc(C(=O)n2ccc3cccnc32)c1
InChIInChI=1S/C18H18N4O3/c1-25-11-9-20-18(24)21-15-6-2-4-14(12-15)17(23)22-10-7-13-5-3-8-19-16(13)22/h2-8,10,12H,9,11H2,1H3,(H2,20,21,24)
InChIKeyBJIDGPHQBODSSP-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.49
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea

1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea (PubChem CID 66813522) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea
PubChem CID66813522
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea
SMILESCOCCNC(=O)Nc1cccc(C(=O)n2ccc3cccnc32)c1
InChIInChI=1S/C18H18N4O3/c1-25-11-9-20-18(24)21-15-6-2-4-14(12-15)17(23)22-10-7-13-5-3-8-19-16(13)22/h2-8,10,12H,9,11H2,1H3,(H2,20,21,24)
InChIKeyBJIDGPHQBODSSP-UHFFFAOYSA-N
XLogP2.49
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.49
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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Related Compounds

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1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
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methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 108990581
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
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1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628
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4-[3-(2-methoxyethylcarbamoyl)anilino]pyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 69038949
1-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90556420
N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea (CID 66813522) is 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea is COCCNC(=O)Nc1cccc(C(=O)n2ccc3cccnc32)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea?
The InChIKey is BJIDGPHQBODSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-11-9-20-18(24)21-15-6-2-4-14(12-15)17(23)22-10-7-13-5-3-8-19-16(13)22/h2-8,10,12H,9,11H2,1H3,(H2,20,21,24).
What are the key properties of 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea?
1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea has a molecular weight of 338.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[3-(pyrrolo[2,3-b]pyridine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 66813522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).