N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide

C12H19N3O — CID 135295974

IUPACN-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C12H19N3O/c1-8(2)11(16)15-10-7-13-9(6-14-10)12(3,4)5/h6-8H,1-5H3,(H,14,15,16)
InChIKeyCYPOBIVYFHBANX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.37
Rot. Bonds2

About N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide

N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide (PubChem CID 135295974) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide
PubChem CID135295974
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C12H19N3O/c1-8(2)11(16)15-10-7-13-9(6-14-10)12(3,4)5/h6-8H,1-5H3,(H,14,15,16)
InChIKeyCYPOBIVYFHBANX-UHFFFAOYSA-N
XLogP2.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide
CID 21313103
N-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanamide
CID 82343659
N-(5-amino-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 18525004
2-hydroxy-N-(5-methylpyrazin-2-yl)propanamide
CID 122677881
(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 61154929
2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 76893313
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479
N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 28902569
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078
2-methyl-N-(1-methylimidazol-4-yl)propanamide
CID 167264755

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide (CID 135295974) is N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1cnc(C(C)(C)C)cn1.
What is the InChIKey of N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide?
The InChIKey is CYPOBIVYFHBANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)11(16)15-10-7-13-9(6-14-10)12(3,4)5/h6-8H,1-5H3,(H,14,15,16).
What are the key properties of N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide?
N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 135295974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).