3-(furan-3-ylmethylamino)pyridine-4-carbonitrile

C11H9N3O — CID 115883748

IUPAC3-(furan-3-ylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1NCc1ccoc1
InChIInChI=1S/C11H9N3O/c12-5-10-1-3-13-7-11(10)14-6-9-2-4-15-8-9/h1-4,7-8,14H,6H2
InChIKeyHWKUJPKCFJCGQC-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.16
Rot. Bonds3

About 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile

3-(furan-3-ylmethylamino)pyridine-4-carbonitrile (PubChem CID 115883748) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(furan-3-ylmethylamino)pyridine-4-carbonitrile
PubChem CID115883748
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-(furan-3-ylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1NCc1ccoc1
InChIInChI=1S/C11H9N3O/c12-5-10-1-3-13-7-11(10)14-6-9-2-4-15-8-9/h1-4,7-8,14H,6H2
InChIKeyHWKUJPKCFJCGQC-UHFFFAOYSA-N
XLogP2.16
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 114287628
N-(furan-3-ylmethyl)pyrazin-2-amine
CID 115586141
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452
3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 84593512
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
CID 63204400
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753
3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 115883851
3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 114287768
2-[(4-cyano-3-pyridinyl)amino]ethylurea
CID 83092415
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile (CID 115883748) is 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile is N#Cc1ccncc1NCc1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile?
The InChIKey is HWKUJPKCFJCGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-5-10-1-3-13-7-11(10)14-6-9-2-4-15-8-9/h1-4,7-8,14H,6H2.
What are the key properties of 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile?
3-(furan-3-ylmethylamino)pyridine-4-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 115883748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).