1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea

C17H20N4O2 — CID 164899632

IUPAC1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea
SMILESCc1c(N)ccc(Oc2ccnc(NC(=O)NC3CC3)c2)c1C
InChIInChI=1S/C17H20N4O2/c1-10-11(2)15(6-5-14(10)18)23-13-7-8-19-16(9-13)21-17(22)20-12-3-4-12/h5-9,12H,3-4,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyWLCCSDSLHGQSSE-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.36
Rot. Bonds4

About 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea

1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea (PubChem CID 164899632) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea
PubChem CID164899632
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea
SMILESCc1c(N)ccc(Oc2ccnc(NC(=O)NC3CC3)c2)c1C
InChIInChI=1S/C17H20N4O2/c1-10-11(2)15(6-5-14(10)18)23-13-7-8-19-16(9-13)21-17(22)20-12-3-4-12/h5-9,12H,3-4,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyWLCCSDSLHGQSSE-UHFFFAOYSA-N
XLogP3.36
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea
CID 67451632
1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
CID 142344622
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
4-[(4-methoxycarbonyl-2-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089442
N-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 89363606
[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamic acid;hydrochloride
CID 163210137
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(piperidin-4-ylcarbamoylamino)-4-pyridinyl]oxy]naphthalen-1-yl]urea
CID 46235246
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,3-dimethylphenyl]-5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 175471955
N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide
CID 90427638

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea (CID 164899632) is 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea is Cc1c(N)ccc(Oc2ccnc(NC(=O)NC3CC3)c2)c1C.
What is the InChIKey of 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea?
The InChIKey is WLCCSDSLHGQSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-11(2)15(6-5-14(10)18)23-13-7-8-19-16(9-13)21-17(22)20-12-3-4-12/h5-9,12H,3-4,18H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea?
1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea has a molecular weight of 312.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea is sourced from PubChem (CID 164899632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).