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

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

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Related Compounds

1-[(2-cyano-4-pyridinyl)methyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 168892618
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168892581
(2-cyano-4-pyridinyl)methylcarbamic acid
CID 126744334
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[[2-[4-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]methyl]urea
CID 168892247
5-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090023
N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 140582866
1-[(2S)-2-bicyclo[2.2.0]hexanyl]-3-[[2-(difluoromethyl)-4-pyridinyl]methyl]urea
CID 168892531
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 63883247
1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 167985401
4-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 63881915
1-[(3-cyanophenyl)methyl]-3-[(4S)-4-fluoro-2-bicyclo[3.1.1]heptanyl]urea
CID 170134352
1-[(1S,5S)-2-bicyclo[3.2.0]heptanyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;molecular hydrogen
CID 168892249

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).