1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea

C18H21FN4O — CID 113018351

IUPAC1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)nc1)NC1CCCCC1
InChIInChI=1S/C18H21FN4O/c19-13-6-8-15(9-7-13)21-17-11-10-16(12-20-17)23-18(24)22-14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H,20,21)(H2,22,23,24)
InChIKeySDTGNKMPQHLXQG-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.42
Rot. Bonds4

About 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea

1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea (PubChem CID 113018351) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
PubChem CID113018351
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)nc1)NC1CCCCC1
InChIInChI=1S/C18H21FN4O/c19-13-6-8-15(9-7-13)21-17-11-10-16(12-20-17)23-18(24)22-14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H,20,21)(H2,22,23,24)
InChIKeySDTGNKMPQHLXQG-UHFFFAOYSA-N
XLogP4.42
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea
CID 113023257
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-cyclohexylurea
CID 113018093
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
CID 112990296
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113010072
1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
CID 113023884
1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea
CID 113011360
1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
CID 113028217

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea (CID 113018351) is 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea is O=C(Nc1ccc(Nc2ccc(F)cc2)nc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea?
The InChIKey is SDTGNKMPQHLXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-13-6-8-15(9-7-13)21-17-11-10-16(12-20-17)23-18(24)22-14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H,20,21)(H2,22,23,24).
What are the key properties of 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea?
1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea has a molecular weight of 328.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea is sourced from PubChem (CID 113018351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).