3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide

C17H25N5O2 — CID 146112736

IUPAC3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CN(C3CCCN(C)C3=O)C2)nc1C
InChIInChI=1S/C17H25N5O2/c1-10-11(2)19-15(12(3)18-10)16(23)20-13-8-22(9-13)14-6-5-7-21(4)17(14)24/h13-14H,5-9H2,1-4H3,(H,20,23)
InChIKeyIPQCRASVRRSIFE-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.44
Rot. Bonds3

About 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide

3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide (PubChem CID 146112736) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide
PubChem CID146112736
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CN(C3CCCN(C)C3=O)C2)nc1C
InChIInChI=1S/C17H25N5O2/c1-10-11(2)19-15(12(3)18-10)16(23)20-13-8-22(9-13)14-6-5-7-21(4)17(14)24/h13-14H,5-9H2,1-4H3,(H,20,23)
InChIKeyIPQCRASVRRSIFE-UHFFFAOYSA-N
XLogP0.44
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 167893060
3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 167834302
(8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 59215769
N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 129347414
5,6-dimethyl-2-oxo-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 127974631
2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide
CID 131107119
3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 129347326
N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 95829475
3-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-3-yl]butanoic acid
CID 81046818
N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 25311697
N-cyclopropyl-1,5-dimethyltriazole-4-carboxamide
CID 130636863
tert-butyl (3R)-1-methyl-2-oxopiperidine-3-carboxylate
CID 125474939

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide (CID 146112736) is 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide is Cc1nc(C)c(C(=O)NC2CN(C3CCCN(C)C3=O)C2)nc1C.
What is the InChIKey of 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is IPQCRASVRRSIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-11(2)19-15(12(3)18-10)16(23)20-13-8-22(9-13)14-6-5-7-21(4)17(14)24/h13-14H,5-9H2,1-4H3,(H,20,23).
What are the key properties of 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide?
3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-N-[1-(1-methyl-2-oxopiperidin-3-yl)azetidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146112736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).