1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea

C15H21N5O3 — CID 94683249

IUPAC1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
SMILESCOCCOc1ccc(NC(=O)N[C@@H](C)Cn2ccnc2)cn1
InChIInChI=1S/C15H21N5O3/c1-12(10-20-6-5-16-11-20)18-15(21)19-13-3-4-14(17-9-13)23-8-7-22-2/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyQSEDVDVRBPBNAP-LBPRGKRZSA-N
MW319.37 g/mol
LogP1.51
Rot. Bonds8

About 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea

1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea (PubChem CID 94683249) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
PubChem CID94683249
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
SMILESCOCCOc1ccc(NC(=O)N[C@@H](C)Cn2ccnc2)cn1
InChIInChI=1S/C15H21N5O3/c1-12(10-20-6-5-16-11-20)18-15(21)19-13-3-4-14(17-9-13)23-8-7-22-2/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyQSEDVDVRBPBNAP-LBPRGKRZSA-N
XLogP1.51
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea
CID 95772217
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
CID 94166237
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94178624
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 95045418
N-(1-imidazol-1-ylpropan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 103614931
1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 61481054
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
N-(1-imidazol-1-ylpropan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 51087077
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
The IUPAC name of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea (CID 94683249) is 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea is COCCOc1ccc(NC(=O)N[C@@H](C)Cn2ccnc2)cn1.
What is the InChIKey of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
The InChIKey is QSEDVDVRBPBNAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-12(10-20-6-5-16-11-20)18-15(21)19-13-3-4-14(17-9-13)23-8-7-22-2/h3-6,9,11-12H,7-8,10H2,1-2H3,(H2,18,19,21)/t12-/m0/s1.
What are the key properties of 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea has a molecular weight of 319.37 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea is sourced from PubChem (CID 94683249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).