1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea

C15H18N4O — CID 168892421

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea
SMILESN#Cc1cc(CNC(=O)NC2CC3CCC2C3)ccn1
InChIInChI=1S/C15H18N4O/c16-8-13-6-11(3-4-17-13)9-18-15(20)19-14-7-10-1-2-12(14)5-10/h3-4,6,10,12,14H,1-2,5,7,9H2,(H2,18,19,20)
InChIKeyDHZWZXXAOHSTQV-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea

1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea (PubChem CID 168892421) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea
PubChem CID168892421
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea
SMILESN#Cc1cc(CNC(=O)NC2CC3CCC2C3)ccn1
InChIInChI=1S/C15H18N4O/c16-8-13-6-11(3-4-17-13)9-18-15(20)19-14-7-10-1-2-12(14)5-10/h3-4,6,10,12,14H,1-2,5,7,9H2,(H2,18,19,20)
InChIKeyDHZWZXXAOHSTQV-UHFFFAOYSA-N
XLogP1.94
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea (CID 168892421) is 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea is N#Cc1cc(CNC(=O)NC2CC3CCC2C3)ccn1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea?
The InChIKey is DHZWZXXAOHSTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-8-13-6-11(3-4-17-13)9-18-15(20)19-14-7-10-1-2-12(14)5-10/h3-4,6,10,12,14H,1-2,5,7,9H2,(H2,18,19,20).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea?
1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea has a molecular weight of 270.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-[(2-cyano-4-pyridinyl)methyl]urea is sourced from PubChem (CID 168892421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).