N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide

C12H21N3O2 — CID 54090992

IUPACN-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide
SMILESCCC(=O)N1CCN=CC1C(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-5-10(16)15-7-6-13-8-9(15)11(17)14-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyMTVGTNXHWSJBJD-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.59
Rot. Bonds2

About N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide

N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide (PubChem CID 54090992) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide
PubChem CID54090992
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide
SMILESCCC(=O)N1CCN=CC1C(=O)NC(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-5-10(16)15-7-6-13-8-9(15)11(17)14-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyMTVGTNXHWSJBJD-UHFFFAOYSA-N
XLogP0.59
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(2,2,2-trifluoroacetyl)-3,5-dihydro-2H-pyrazine-5-carboxamide
CID 53994030
(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione
CID 155931774
4-acetyl-N-tert-butyl-3,5-dihydro-2H-pyrazine-5-carboxamide
CID 53707429
N-tert-butyl-4-(2-methylpropanoyl)-3,5-dihydro-2H-pyrazine-5-carboxamide
CID 53795249
4-acetyl-3,5-dihydro-2H-pyrazine-5-carboxamide
CID 54090529
2-[[2-(ethylideneamino)acetyl]amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 57712178
5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
CID 90702382
(2R)-N,N-dimethyl-2-[[(2R)-2-(methylideneamino)propanoyl]amino]propanamide
CID 144589820
(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide
CID 166078712
N-[2-(4-methylpentan-2-ylamino)-2-oxoethyl]-1,2,3,6-tetrahydropyrazine-6-carboxamide
CID 145307415

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide?
The IUPAC name of N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide (CID 54090992) is N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide?
The canonical SMILES for N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide is CCC(=O)N1CCN=CC1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide?
The InChIKey is MTVGTNXHWSJBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-10(16)15-7-6-13-8-9(15)11(17)14-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide?
N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-propanoyl-3,5-dihydro-2H-pyrazine-5-carboxamide is sourced from PubChem (CID 54090992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).