4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile

C15H16N4 — CID 63306269

IUPAC4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2ncccc2C)n1
InChIInChI=1S/C15H16N4/c1-10-5-4-6-17-14(10)9-18-15-13(8-16)11(2)7-12(3)19-15/h4-7H,9H2,1-3H3,(H,18,19)
InChIKeyYXFXVOAMZRJGHA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.89
Rot. Bonds3

About 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile

4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile (PubChem CID 63306269) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
PubChem CID63306269
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCc2ncccc2C)n1
InChIInChI=1S/C15H16N4/c1-10-5-4-6-17-14(10)9-18-15-13(8-16)11(2)7-12(3)19-15/h4-7H,9H2,1-3H3,(H,18,19)
InChIKeyYXFXVOAMZRJGHA-UHFFFAOYSA-N
XLogP2.89
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile (CID 63306269) is 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCc2ncccc2C)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is YXFXVOAMZRJGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-5-4-6-17-14(10)9-18-15-13(8-16)11(2)7-12(3)19-15/h4-7H,9H2,1-3H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 63306269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).