N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide

C12H18N4O — CID 139933690

IUPACN-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide
SMILESCC(C)CC(C(=O)NCC#N)N1C=CN=CC1
InChIInChI=1S/C12H18N4O/c1-10(2)9-11(12(17)15-4-3-13)16-7-5-14-6-8-16/h5-7,10-11H,4,8-9H2,1-2H3,(H,15,17)
InChIKeyZBWZVGZLUFXGKT-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.90
Rot. Bonds5

About N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide

N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide (PubChem CID 139933690) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide
PubChem CID139933690
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide
SMILESCC(C)CC(C(=O)NCC#N)N1C=CN=CC1
InChIInChI=1S/C12H18N4O/c1-10(2)9-11(12(17)15-4-3-13)16-7-5-14-6-8-16/h5-7,10-11H,4,8-9H2,1-2H3,(H,15,17)
InChIKeyZBWZVGZLUFXGKT-UHFFFAOYSA-N
XLogP0.90
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine
CID 143290521
N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2-dihydropyrazine-2-carboxamide
CID 146409993
1-[2-(5-Methylhexan-2-ylamino)ethyl]pyrazin-2-one
CID 112753756

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide?
The IUPAC name of N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide (CID 139933690) is N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide.
What is the SMILES notation for N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide?
The canonical SMILES for N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide is CC(C)CC(C(=O)NCC#N)N1C=CN=CC1.
What is the InChIKey of N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide?
The InChIKey is ZBWZVGZLUFXGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(2)9-11(12(17)15-4-3-13)16-7-5-14-6-8-16/h5-7,10-11H,4,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide?
N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide has a molecular weight of 234.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-methyl-2-(2H-pyrazin-1-yl)pentanamide is sourced from PubChem (CID 139933690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).