N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide

C12H19N3O — CID 20782723

IUPACN-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
SMILESCC(C)C(NC(=O)c1cnccn1)C(C)C
InChIInChI=1S/C12H19N3O/c1-8(2)11(9(3)4)15-12(16)10-7-13-5-6-14-10/h5-9,11H,1-4H3,(H,15,16)
InChIKeyZPMIQIOIZOXKOV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds4

About N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide

N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide (PubChem CID 20782723) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
PubChem CID20782723
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
SMILESCC(C)C(NC(=O)c1cnccn1)C(C)C
InChIInChI=1S/C12H19N3O/c1-8(2)11(9(3)4)15-12(16)10-7-13-5-6-14-10/h5-9,11H,1-4H3,(H,15,16)
InChIKeyZPMIQIOIZOXKOV-UHFFFAOYSA-N
XLogP1.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243
N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 16564375
N-(1-amino-4-methylpentan-2-yl)pyrazine-2-carboxamide
CID 63888138
N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144733404
N-(3-methyl-2-oxobutyl)pyrazine-2-carboxamide
CID 103874912
(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139
3-methyl-2-(pyrazine-2-carbonylamino)-3-sulfanylbutanoic acid
CID 16770561
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
[(1R)-3-methyl-1-[[(2R)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butyl]boronic acid
CID 74767136
N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 42997249

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide (CID 20782723) is N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide is CC(C)C(NC(=O)c1cnccn1)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide?
The InChIKey is ZPMIQIOIZOXKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)11(9(3)4)15-12(16)10-7-13-5-6-14-10/h5-9,11H,1-4H3,(H,15,16).
What are the key properties of N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide?
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 20782723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).