2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile

C15H17N3O — CID 81060176

IUPAC2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile
SMILESCc1cc(N(C)Cc2ccoc2C)c(C#N)c(C)n1
InChIInChI=1S/C15H17N3O/c1-10-7-15(14(8-16)11(2)17-10)18(4)9-13-5-6-19-12(13)3/h5-7H,9H2,1-4H3
InChIKeyHLVHSZUTKSEMFK-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.11
Rot. Bonds3

About 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile

2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile (PubChem CID 81060176) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile
PubChem CID81060176
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile
SMILESCc1cc(N(C)Cc2ccoc2C)c(C#N)c(C)n1
InChIInChI=1S/C15H17N3O/c1-10-7-15(14(8-16)11(2)17-10)18(4)9-13-5-6-19-12(13)3/h5-7H,9H2,1-4H3
InChIKeyHLVHSZUTKSEMFK-UHFFFAOYSA-N
XLogP3.11
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile (CID 81060176) is 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile is Cc1cc(N(C)Cc2ccoc2C)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile?
The InChIKey is HLVHSZUTKSEMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-7-15(14(8-16)11(2)17-10)18(4)9-13-5-6-19-12(13)3/h5-7H,9H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 81060176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).