N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C13H18N4O2 — CID 90513923

IUPACN-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C13H18N4O2/c1-9(2)5-16-12(18)10-7-17(8-10)13(19)11-6-14-3-4-15-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18)
InChIKeySVGSFHHOVSZMIF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.32
Rot. Bonds4

About N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90513923) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID90513923
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C13H18N4O2/c1-9(2)5-16-12(18)10-7-17(8-10)13(19)11-6-14-3-4-15-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18)
InChIKeySVGSFHHOVSZMIF-UHFFFAOYSA-N
XLogP0.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
1-(pyrazine-2-carbonyl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90513957
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785197
N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510936
N-(furan-2-ylmethyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785666
1-(pyrazine-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90510918
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513961
N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860
(3S)-N-pentyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 7296485
(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
CID 136518326
[(3aR,6aS)-2-(cyclopropylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97377072

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 90513923) is N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is CC(C)CNC(=O)C1CN(C(=O)c2cnccn2)C1.
What is the InChIKey of N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is SVGSFHHOVSZMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)5-16-12(18)10-7-17(8-10)13(19)11-6-14-3-4-15-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).