N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide

C12H18N4O — CID 89460399

IUPACN-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
SMILESCC(C)(C)N1CC(NC(=O)c2cnccn2)C1
InChIInChI=1S/C12H18N4O/c1-12(2,3)16-7-9(8-16)15-11(17)10-6-13-4-5-14-10/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyBADHPOUDLPDPHE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.69
Rot. Bonds2

About N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide

N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide (PubChem CID 89460399) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
PubChem CID89460399
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
SMILESCC(C)(C)N1CC(NC(=O)c2cnccn2)C1
InChIInChI=1S/C12H18N4O/c1-12(2,3)16-7-9(8-16)15-11(17)10-6-13-4-5-14-10/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyBADHPOUDLPDPHE-UHFFFAOYSA-N
XLogP0.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 18155873
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557370
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]pyrazine-2-carboxamide
CID 124759114
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide (CID 89460399) is N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide is CC(C)(C)N1CC(NC(=O)c2cnccn2)C1.
What is the InChIKey of N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide?
The InChIKey is BADHPOUDLPDPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(2,3)16-7-9(8-16)15-11(17)10-6-13-4-5-14-10/h4-6,9H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide?
N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 89460399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).