2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile

C14H14N4 — CID 20515908

IUPAC2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCCN(C)c1ncc(-c2ccncc2)cc1C#N
InChIInChI=1S/C14H14N4/c1-3-18(2)14-12(9-15)8-13(10-17-14)11-4-6-16-7-5-11/h4-8,10H,3H2,1-2H3
InChIKeyMMUMJIFZURQLTC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.47
Rot. Bonds3

About 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile

2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 20515908) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID20515908
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCCN(C)c1ncc(-c2ccncc2)cc1C#N
InChIInChI=1S/C14H14N4/c1-3-18(2)14-12(9-15)8-13(10-17-14)11-4-6-16-7-5-11/h4-8,10H,3H2,1-2H3
InChIKeyMMUMJIFZURQLTC-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile (CID 20515908) is 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile is CCN(C)c1ncc(-c2ccncc2)cc1C#N.
What is the InChIKey of 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is MMUMJIFZURQLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-3-18(2)14-12(9-15)8-13(10-17-14)11-4-6-16-7-5-11/h4-8,10H,3H2,1-2H3.
What are the key properties of 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile?
2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-5-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 20515908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).