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

C15H14N4O2 — CID 56675716

IUPAC1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cc(C#N)ccn2)cc1
InChIInChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)
InChIKeyCCJAUHZAAWYCGK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.28
Rot. Bonds4

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

1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 56675716) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID56675716
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cc(C#N)ccn2)cc1
InChIInChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)
InChIKeyCCJAUHZAAWYCGK-UHFFFAOYSA-N
XLogP2.28
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea (CID 56675716) is 1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2cc(C#N)ccn2)cc1.
What is the InChIKey of 1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is CCJAUHZAAWYCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 282.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 56675716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).