N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide

C12H17N3O2 — CID 174432117

IUPACN-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)C[C@@H](C=O)N(C)C(=O)c1cnccn1
InChIInChI=1S/C12H17N3O2/c1-9(2)6-10(8-16)15(3)12(17)11-7-13-4-5-14-11/h4-5,7-10H,6H2,1-3H3/t10-/m0/s1
InChIKeyLIGJZXRQKCPCAC-JTQLQIEISA-N
MW235.29 g/mol
LogP1.16
Rot. Bonds5

About N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide

N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (PubChem CID 174432117) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
PubChem CID174432117
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
SMILESCC(C)C[C@@H](C=O)N(C)C(=O)c1cnccn1
InChIInChI=1S/C12H17N3O2/c1-9(2)6-10(8-16)15(3)12(17)11-7-13-4-5-14-11/h4-5,7-10H,6H2,1-3H3/t10-/m0/s1
InChIKeyLIGJZXRQKCPCAC-JTQLQIEISA-N
XLogP1.16
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-4-ethylsulfanylbutan-2-yl]-N-methylpyrazine-2-carboxamide
CID 95990446
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrazine-2-carboxamide
CID 54913010
4-methyl-1-pyrazin-2-ylpentan-1-one
CID 62620603
N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144733404
2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
CID 54925819
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
N-(1-amino-4-methylpentan-2-yl)pyrazine-2-carboxamide
CID 63888138
N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 47112752
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyrazine-2-carboxamide
CID 46550839
ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
CID 54901193
N-hydroxy-N-methoxypyrazine-2-carboxamide
CID 54209854
4-(dimethylamino)-2-pyrazin-2-ylbut-2-enal
CID 174484087

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (CID 174432117) is N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is CC(C)C[C@@H](C=O)N(C)C(=O)c1cnccn1.
What is the InChIKey of N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?
The InChIKey is LIGJZXRQKCPCAC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)6-10(8-16)15(3)12(17)11-7-13-4-5-14-11/h4-5,7-10H,6H2,1-3H3/t10-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?
N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 174432117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).