2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile

C9H13N3 — CID 156724234

IUPAC2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile
SMILESCCN(C)C1=NC=C(C#N)CC1
InChIInChI=1S/C9H13N3/c1-3-12(2)9-5-4-8(6-10)7-11-9/h7H,3-5H2,1-2H3
InChIKeyLDUNVAJSXFAPJZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.54
Rot. Bonds1

About 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile

2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile (PubChem CID 156724234) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile
PubChem CID156724234
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile
SMILESCCN(C)C1=NC=C(C#N)CC1
InChIInChI=1S/C9H13N3/c1-3-12(2)9-5-4-8(6-10)7-11-9/h7H,3-5H2,1-2H3
InChIKeyLDUNVAJSXFAPJZ-UHFFFAOYSA-N
XLogP1.54
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile?
The IUPAC name of 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile (CID 156724234) is 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile is CCN(C)C1=NC=C(C#N)CC1.
What is the InChIKey of 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile?
The InChIKey is LDUNVAJSXFAPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-12(2)9-5-4-8(6-10)7-11-9/h7H,3-5H2,1-2H3.
What are the key properties of 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile?
2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile has a molecular weight of 163.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-3,4-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 156724234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).