1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea

C20H25FN4O — CID 113028217

IUPAC1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
SMILESO=C(Nc1ccc(NCCc2ccccc2F)cn1)NC1CCCCC1
InChIInChI=1S/C20H25FN4O/c21-18-9-5-4-6-15(18)12-13-22-17-10-11-19(23-14-17)25-20(26)24-16-7-2-1-3-8-16/h4-6,9-11,14,16,22H,1-3,7-8,12-13H2,(H2,23,24,25,26)
InChIKeyRTDIPSBUXACZOY-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.33
Rot. Bonds6

About 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea

1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea (PubChem CID 113028217) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
PubChem CID113028217
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
SMILESO=C(Nc1ccc(NCCc2ccccc2F)cn1)NC1CCCCC1
InChIInChI=1S/C20H25FN4O/c21-18-9-5-4-6-15(18)12-13-22-17-10-11-19(23-14-17)25-20(26)24-16-7-2-1-3-8-16/h4-6,9-11,14,16,22H,1-3,7-8,12-13H2,(H2,23,24,25,26)
InChIKeyRTDIPSBUXACZOY-UHFFFAOYSA-N
XLogP4.33
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
CID 113028926
2-(4-chlorophenyl)-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]acetamide
CID 113028195
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
CID 113023884
ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate
CID 113028219
N-cyclopropyl-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109271592
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
CID 113026734
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea (CID 113028217) is 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea is O=C(Nc1ccc(NCCc2ccccc2F)cn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea?
The InChIKey is RTDIPSBUXACZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-18-9-5-4-6-15(18)12-13-22-17-10-11-19(23-14-17)25-20(26)24-16-7-2-1-3-8-16/h4-6,9-11,14,16,22H,1-3,7-8,12-13H2,(H2,23,24,25,26).
What are the key properties of 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea?
1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea has a molecular weight of 356.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea is sourced from PubChem (CID 113028217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).