1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

C17H25N5O3 — CID 95045418

IUPAC1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCOCCOc1ccc(NC(=O)NC[C@H](C)Cn2ccnc2C)cn1
InChIInChI=1S/C17H25N5O3/c1-13(12-22-7-6-18-14(22)2)10-20-17(23)21-15-4-5-16(19-11-15)25-9-8-24-3/h4-7,11,13H,8-10,12H2,1-3H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyJMKPZKCRPVAEIK-ZDUSSCGKSA-N
MW347.42 g/mol
LogP2.07
Rot. Bonds9

About 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea

1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 95045418) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
PubChem CID95045418
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
SMILESCOCCOc1ccc(NC(=O)NC[C@H](C)Cn2ccnc2C)cn1
InChIInChI=1S/C17H25N5O3/c1-13(12-22-7-6-18-14(22)2)10-20-17(23)21-15-4-5-16(19-11-15)25-9-8-24-3/h4-7,11,13H,8-10,12H2,1-3H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyJMKPZKCRPVAEIK-ZDUSSCGKSA-N
XLogP2.07
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 94683249
1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 52910218
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 78879671
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55743443
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 124846701
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
2-(butan-2-ylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 60853381

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea (CID 95045418) is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is COCCOc1ccc(NC(=O)NC[C@H](C)Cn2ccnc2C)cn1.
What is the InChIKey of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
The InChIKey is JMKPZKCRPVAEIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-13(12-22-7-6-18-14(22)2)10-20-17(23)21-15-4-5-16(19-11-15)25-9-8-24-3/h4-7,11,13H,8-10,12H2,1-3H3,(H2,20,21,23)/t13-/m0/s1.
What are the key properties of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea?
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 347.42 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 95045418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).