2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide

C13H18N4O — CID 112548336

IUPAC2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1nc(C)ccc1C#N
InChIInChI=1S/C13H18N4O/c1-4-17(5-2)12(18)9-15-13-11(8-14)7-6-10(3)16-13/h6-7H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyFJSZVYVAKAIPSN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.54
Rot. Bonds5

About 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide

2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide (PubChem CID 112548336) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
PubChem CID112548336
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1nc(C)ccc1C#N
InChIInChI=1S/C13H18N4O/c1-4-17(5-2)12(18)9-15-13-11(8-14)7-6-10(3)16-13/h6-7H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyFJSZVYVAKAIPSN-UHFFFAOYSA-N
XLogP1.54
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide (CID 112548336) is 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNc1nc(C)ccc1C#N.
What is the InChIKey of 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide?
The InChIKey is FJSZVYVAKAIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-17(5-2)12(18)9-15-13-11(8-14)7-6-10(3)16-13/h6-7H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide?
2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-methyl-2-pyridinyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 112548336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).