5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile

C12H11N3O — CID 115748737

IUPAC5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile
SMILESCc1ccncc1NCc1ccc(C#N)o1
InChIInChI=1S/C12H11N3O/c1-9-4-5-14-8-12(9)15-7-11-3-2-10(6-13)16-11/h2-5,8,15H,7H2,1H3
InChIKeyLJIKOUKKFNQTOF-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.47
Rot. Bonds3

About 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile

5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile (PubChem CID 115748737) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile
PubChem CID115748737
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile
SMILESCc1ccncc1NCc1ccc(C#N)o1
InChIInChI=1S/C12H11N3O/c1-9-4-5-14-8-12(9)15-7-11-3-2-10(6-13)16-11/h2-5,8,15H,7H2,1H3
InChIKeyLJIKOUKKFNQTOF-UHFFFAOYSA-N
XLogP2.47
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile (CID 115748737) is 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile is Cc1ccncc1NCc1ccc(C#N)o1.
What is the InChIKey of 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is LJIKOUKKFNQTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-9-4-5-14-8-12(9)15-7-11-3-2-10(6-13)16-11/h2-5,8,15H,7H2,1H3.
What are the key properties of 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile?
5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methyl-3-pyridinyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115748737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).