N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide

C17H19N5O — CID 852542

IUPACN-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide
SMILESCCNc1nc(C)c(CN(C(C)=O)c2ccccc2)nc1C#N
InChIInChI=1S/C17H19N5O/c1-4-19-17-15(10-18)21-16(12(2)20-17)11-22(13(3)23)14-8-6-5-7-9-14/h5-9H,4,11H2,1-3H3,(H,19,20)
InChIKeyPYXLLRIFIPALBS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.64
Rot. Bonds5

About N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide

N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide (PubChem CID 852542) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide
PubChem CID852542
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide
SMILESCCNc1nc(C)c(CN(C(C)=O)c2ccccc2)nc1C#N
InChIInChI=1S/C17H19N5O/c1-4-19-17-15(10-18)21-16(12(2)20-17)11-22(13(3)23)14-8-6-5-7-9-14/h5-9H,4,11H2,1-3H3,(H,19,20)
InChIKeyPYXLLRIFIPALBS-UHFFFAOYSA-N
XLogP2.64
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide?
The IUPAC name of N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide (CID 852542) is N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide.
What is the SMILES notation for N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide?
The canonical SMILES for N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide is CCNc1nc(C)c(CN(C(C)=O)c2ccccc2)nc1C#N.
What is the InChIKey of N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide?
The InChIKey is PYXLLRIFIPALBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-19-17-15(10-18)21-16(12(2)20-17)11-22(13(3)23)14-8-6-5-7-9-14/h5-9H,4,11H2,1-3H3,(H,19,20).
What are the key properties of N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide?
N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide has a molecular weight of 309.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-cyano-5-(ethylamino)-3-methylpyrazin-2-yl]methyl]-N-phenylacetamide is sourced from PubChem (CID 852542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).