[cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea

C18H20FN3O — CID 162459054

IUPAC[cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea
SMILESNC(=O)NC(c1ccncc1)(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C18H20FN3O/c19-16-7-5-14(6-8-16)18(22-17(20)23,13-3-1-2-4-13)15-9-11-21-12-10-15/h5-13H,1-4H2,(H3,20,22,23)
InChIKeyQTSUFDGVRQFPAD-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.32
Rot. Bonds4

About [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea

[cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea (PubChem CID 162459054) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea.

Molecular Properties

Compound Name[cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea
PubChem CID162459054
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name[cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea
SMILESNC(=O)NC(c1ccncc1)(c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C18H20FN3O/c19-16-7-5-14(6-8-16)18(22-17(20)23,13-3-1-2-4-13)15-9-11-21-12-10-15/h5-13H,1-4H2,(H3,20,22,23)
InChIKeyQTSUFDGVRQFPAD-UHFFFAOYSA-N
XLogP3.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid
CID 106490917
1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 110469730
1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216151
N-cyclopentylpyridine-4-carboxamide
CID 4212000
3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 82049889
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
N-cyclohexylpyridine-4-carboxamide
CID 3436730
2,2-bis(4-fluorophenyl)-2-sulfanylacetamide
CID 87771670
2-(cyclopropylamino)-2-pyridin-4-ylpropanamide
CID 60795921
S-[tris(4-fluorophenyl)methyl] carbamothioate
CID 24886988
1-cycloheptyl-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 82931291
2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 67957539

Frequently Asked Questions

What is the IUPAC name of [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea?
The IUPAC name of [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea (CID 162459054) is [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea.
What is the SMILES notation for [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea?
The canonical SMILES for [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea is NC(=O)NC(c1ccncc1)(c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea?
The InChIKey is QTSUFDGVRQFPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-7-5-14(6-8-16)18(22-17(20)23,13-3-1-2-4-13)15-9-11-21-12-10-15/h5-13H,1-4H2,(H3,20,22,23).
What are the key properties of [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea?
[cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea has a molecular weight of 313.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl-(4-fluorophenyl)-pyridin-4-ylmethyl]urea is sourced from PubChem (CID 162459054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).