1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea

C17H22N4O2 — CID 113011360

IUPAC1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(NCc2ccco2)nc1)NC1CCCCC1
InChIInChI=1S/C17H22N4O2/c22-17(20-13-5-2-1-3-6-13)21-14-8-9-16(18-11-14)19-12-15-7-4-10-23-15/h4,7-11,13H,1-3,5-6,12H2,(H,18,19)(H2,20,21,22)
InChIKeyGACAAWXWHFVESC-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.74
Rot. Bonds5

About 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea

1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea (PubChem CID 113011360) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea
PubChem CID113011360
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(NCc2ccco2)nc1)NC1CCCCC1
InChIInChI=1S/C17H22N4O2/c22-17(20-13-5-2-1-3-6-13)21-14-8-9-16(18-11-14)19-12-15-7-4-10-23-15/h4,7-11,13H,1-3,5-6,12H2,(H,18,19)(H2,20,21,22)
InChIKeyGACAAWXWHFVESC-UHFFFAOYSA-N
XLogP3.74
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109182916
N-cyclopentyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109273898
3-amino-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]propanamide
CID 39179353
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
2-fluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011312
2-bromo-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011315
2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011352
1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
CID 113018351
N-cyclopentyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109341395
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea (CID 113011360) is 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea is O=C(Nc1ccc(NCc2ccco2)nc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea?
The InChIKey is GACAAWXWHFVESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(20-13-5-2-1-3-6-13)21-14-8-9-16(18-11-14)19-12-15-7-4-10-23-15/h4,7-11,13H,1-3,5-6,12H2,(H,18,19)(H2,20,21,22).
What are the key properties of 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea?
1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea is sourced from PubChem (CID 113011360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).