2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile

C12H11N3O — CID 62523720

IUPAC2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(CNc2ncccc2C#N)o1
InChIInChI=1S/C12H11N3O/c1-9-4-5-11(16-9)8-15-12-10(7-13)3-2-6-14-12/h2-6H,8H2,1H3,(H,14,15)
InChIKeyCTRLXHLQXATNMS-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.47
Rot. Bonds3

About 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile

2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 62523720) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID62523720
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1ccc(CNc2ncccc2C#N)o1
InChIInChI=1S/C12H11N3O/c1-9-4-5-11(16-9)8-15-12-10(7-13)3-2-6-14-12/h2-6H,8H2,1H3,(H,14,15)
InChIKeyCTRLXHLQXATNMS-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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Related Compounds

3-fluoro-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 62734741
2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 133353245
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile
CID 60965511
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361
2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 63311555
2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133414956
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile (CID 62523720) is 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile is Cc1ccc(CNc2ncccc2C#N)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is CTRLXHLQXATNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-9-4-5-11(16-9)8-15-12-10(7-13)3-2-6-14-12/h2-6H,8H2,1H3,(H,14,15).
What are the key properties of 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile?
2-[(5-methylfuran-2-yl)methylamino]pyridine-3-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 2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 62523720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).