1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea

C14H11FN4O — CID 121004595

IUPAC1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCc2ccc(F)cc2)nc1
InChIInChI=1S/C14H11FN4O/c15-12-4-1-10(2-5-12)8-18-14(20)19-13-6-3-11(7-16)9-17-13/h1-6,9H,8H2,(H2,17,18,19,20)
InChIKeyUAJXHMLZHCFBAV-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.41
Rot. Bonds3

About 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea

1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 121004595) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID121004595
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCc2ccc(F)cc2)nc1
InChIInChI=1S/C14H11FN4O/c15-12-4-1-10(2-5-12)8-18-14(20)19-13-6-3-11(7-16)9-17-13/h1-6,9H,8H2,(H2,17,18,19,20)
InChIKeyUAJXHMLZHCFBAV-UHFFFAOYSA-N
XLogP2.41
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)methylcarbamoylamino]-1-methylpyrazole-5-carboxamide
CID 70309035
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide
CID 138582553
6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile
CID 94819702
N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide
CID 122159677
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 56675716
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea (CID 121004595) is 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea is N#Cc1ccc(NC(=O)NCc2ccc(F)cc2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is UAJXHMLZHCFBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-12-4-1-10(2-5-12)8-18-14(20)19-13-6-3-11(7-16)9-17-13/h1-6,9H,8H2,(H2,17,18,19,20).
What are the key properties of 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea?
1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 270.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 121004595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).