6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile

C12H15N3 — CID 162636895

IUPAC6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC2CC2)nc(C)c1C#N
InChIInChI=1S/C12H15N3/c1-8-5-12(14-7-10-3-4-10)15-9(2)11(8)6-13/h5,10H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyOISDVOQKPYWLLC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.39
Rot. Bonds3

About 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile

6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 162636895) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile
PubChem CID162636895
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC2CC2)nc(C)c1C#N
InChIInChI=1S/C12H15N3/c1-8-5-12(14-7-10-3-4-10)15-9(2)11(8)6-13/h5,10H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyOISDVOQKPYWLLC-UHFFFAOYSA-N
XLogP2.39
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile (CID 162636895) is 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(NCC2CC2)nc(C)c1C#N.
What is the InChIKey of 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is OISDVOQKPYWLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-5-12(14-7-10-3-4-10)15-9(2)11(8)6-13/h5,10H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile?
6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 162636895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).