[3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea

C13H11F2N3O — CID 175789728

IUPAC[3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea
SMILESNC(=O)Nc1ncccc1Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H11F2N3O/c14-10-5-8(6-11(15)7-10)4-9-2-1-3-17-12(9)18-13(16)19/h1-3,5-7H,4H2,(H3,16,17,18,19)
InChIKeySSYBXZKDAMJGEM-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.44
Rot. Bonds3

About [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea

[3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea (PubChem CID 175789728) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea
PubChem CID175789728
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name[3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea
SMILESNC(=O)Nc1ncccc1Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H11F2N3O/c14-10-5-8(6-11(15)7-10)4-9-2-1-3-17-12(9)18-13(16)19/h1-3,5-7H,4H2,(H3,16,17,18,19)
InChIKeySSYBXZKDAMJGEM-UHFFFAOYSA-N
XLogP2.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-benzyl-2-pyridinyl)thiourea
CID 54298888
N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62615627
2-amino-N-[3-(aminomethyl)-2-pyridinyl]acetamide
CID 83618855
1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 19703423
3-[(2-chloro-4-pyridinyl)methyl]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide
CID 171634904
2-(7-fluoroquinolin-5-yl)acetamide
CID 68784549
2-benzyl-1-(3-benzyl-2-pyridinyl)-3-methoxyguanidine
CID 54238051
(3,5-difluorophenyl)methylurea
CID 112708056
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
2-(3-fluorophenyl)-N-quinolin-5-ylacetamide
CID 17391782
2-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154038
2-[(3,5-difluorophenyl)methyl]-3-nitropyridine
CID 58459200

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea?
The IUPAC name of [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea (CID 175789728) is [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea.
What is the SMILES notation for [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea?
The canonical SMILES for [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea is NC(=O)Nc1ncccc1Cc1cc(F)cc(F)c1.
What is the InChIKey of [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea?
The InChIKey is SSYBXZKDAMJGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-10-5-8(6-11(15)7-10)4-9-2-1-3-17-12(9)18-13(16)19/h1-3,5-7H,4H2,(H3,16,17,18,19).
What are the key properties of [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea?
[3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea has a molecular weight of 263.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea is sourced from PubChem (CID 175789728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).