1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea

C17H19ClN4O — CID 113015835

IUPAC1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NCCc2cccc(Cl)c2)nc1)NC1CC1
InChIInChI=1S/C17H19ClN4O/c18-13-3-1-2-12(10-13)8-9-19-16-7-6-15(11-20-16)22-17(23)21-14-4-5-14/h1-3,6-7,10-11,14H,4-5,8-9H2,(H,19,20)(H2,21,22,23)
InChIKeyRXDBQAOZZZODDL-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.67
Rot. Bonds6

About 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea

1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea (PubChem CID 113015835) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea
PubChem CID113015835
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NCCc2cccc(Cl)c2)nc1)NC1CC1
InChIInChI=1S/C17H19ClN4O/c18-13-3-1-2-12(10-13)8-9-19-16-7-6-15(11-20-16)22-17(23)21-14-4-5-14/h1-3,6-7,10-11,14H,4-5,8-9H2,(H,19,20)(H2,21,22,23)
InChIKeyRXDBQAOZZZODDL-UHFFFAOYSA-N
XLogP3.67
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]-3-cyclopropylurea
CID 113045279
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
N-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113015813
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113031036
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
CID 113027296
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113031026
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
CID 113014392
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109289157
azepan-1-yl-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109161934

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea?
The IUPAC name of 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea (CID 113015835) is 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea?
The canonical SMILES for 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea is O=C(Nc1ccc(NCCc2cccc(Cl)c2)nc1)NC1CC1.
What is the InChIKey of 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea?
The InChIKey is RXDBQAOZZZODDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-13-3-1-2-12(10-13)8-9-19-16-7-6-15(11-20-16)22-17(23)21-14-4-5-14/h1-3,6-7,10-11,14H,4-5,8-9H2,(H,19,20)(H2,21,22,23).
What are the key properties of 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea?
1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea has a molecular weight of 330.82 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea is sourced from PubChem (CID 113015835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).