N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide

C11H18N4O2 — CID 114569295

IUPACN-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
SMILESCC(C)CNC(=O)CCNc1ncc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-8(2)7-15-9(16)3-4-12-10-11(17)14-6-5-13-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeyKMDXXUITVZFAEB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.34
Rot. Bonds6

About N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide

N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide (PubChem CID 114569295) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
PubChem CID114569295
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
SMILESCC(C)CNC(=O)CCNc1ncc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-8(2)7-15-9(16)3-4-12-10-11(17)14-6-5-13-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeyKMDXXUITVZFAEB-UHFFFAOYSA-N
XLogP0.34
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569242
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid
CID 105382627
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one
CID 114569048
3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one
CID 127009394
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
CID 115657236
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567
3-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrazin-2-one
CID 115698510
1H-imidazol-2-yl N-(2-methylpropyl)carbamate
CID 70568732

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide?
The IUPAC name of N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide (CID 114569295) is N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide is CC(C)CNC(=O)CCNc1ncc[nH]c1=O.
What is the InChIKey of N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide?
The InChIKey is KMDXXUITVZFAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(2)7-15-9(16)3-4-12-10-11(17)14-6-5-13-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)(H,14,17)(H,15,16).
What are the key properties of N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide?
N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide is sourced from PubChem (CID 114569295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).