4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile

C15H15N3O — CID 63886159

IUPAC4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN(Cc2ccco2)C2CC2)ccn1
InChIInChI=1S/C15H15N3O/c16-9-13-8-12(5-6-17-13)10-18(14-3-4-14)11-15-2-1-7-19-15/h1-2,5-8,14H,3-4,10-11H2
InChIKeyCZNCOFXEZZFTGH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.71
Rot. Bonds5

About 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile

4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63886159) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63886159
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN(Cc2ccco2)C2CC2)ccn1
InChIInChI=1S/C15H15N3O/c16-9-13-8-12(5-6-17-13)10-18(14-3-4-14)11-15-2-1-7-19-15/h1-2,5-8,14H,3-4,10-11H2
InChIKeyCZNCOFXEZZFTGH-UHFFFAOYSA-N
XLogP2.71
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
CID 63880970
4-[[cyclopropyl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63883631
4-[[cyclohexyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884989
4-[[cyclopropyl(piperidin-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 79713800
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63881430
4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63880798
4-[(furan-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881885
N-(furan-2-ylmethyl)-N-[(6-hydrazinyl-3-pyridinyl)methyl]cyclopropanamine
CID 62245161
2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 55003502
4-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 115384913
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881172

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile (CID 63886159) is 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile is N#Cc1cc(CN(Cc2ccco2)C2CC2)ccn1.
What is the InChIKey of 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is CZNCOFXEZZFTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-9-13-8-12(5-6-17-13)10-18(14-3-4-14)11-15-2-1-7-19-15/h1-2,5-8,14H,3-4,10-11H2.
What are the key properties of 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile?
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63886159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).