3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile

C14H14N4 — CID 114287741

IUPAC3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
SMILESCc1cccc(CN(C)c2cnccc2C#N)n1
InChIInChI=1S/C14H14N4/c1-11-4-3-5-13(17-11)10-18(2)14-9-16-7-6-12(14)8-15/h3-7,9H,10H2,1-2H3
InChIKeyZTBKYIFXHCZNGX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.29
Rot. Bonds3

About 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile

3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile (PubChem CID 114287741) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
PubChem CID114287741
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
SMILESCc1cccc(CN(C)c2cnccc2C#N)n1
InChIInChI=1S/C14H14N4/c1-11-4-3-5-13(17-11)10-18(2)14-9-16-7-6-12(14)8-15/h3-7,9H,10H2,1-2H3
InChIKeyZTBKYIFXHCZNGX-UHFFFAOYSA-N
XLogP2.29
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile (CID 114287741) is 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile is Cc1cccc(CN(C)c2cnccc2C#N)n1.
What is the InChIKey of 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile?
The InChIKey is ZTBKYIFXHCZNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-11-4-3-5-13(17-11)10-18(2)14-9-16-7-6-12(14)8-15/h3-7,9H,10H2,1-2H3.
What are the key properties of 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile?
3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114287741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).