N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide

C17H21N3O4 — CID 126827884

IUPACN-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC2CCCN(C(=O)C3CC(=O)C3)C2)ccn1
InChIInChI=1S/C17H21N3O4/c1-18-16(22)15-9-13(4-5-19-15)24-14-3-2-6-20(10-14)17(23)11-7-12(21)8-11/h4-5,9,11,14H,2-3,6-8,10H2,1H3,(H,18,22)
InChIKeyJHCPQOJNTITLLI-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.79
Rot. Bonds4

About N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide

N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 126827884) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID126827884
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC2CCCN(C(=O)C3CC(=O)C3)C2)ccn1
InChIInChI=1S/C17H21N3O4/c1-18-16(22)15-9-13(4-5-19-15)24-14-3-2-6-20(10-14)17(23)11-7-12(21)8-11/h4-5,9,11,14H,2-3,6-8,10H2,1H3,(H,18,22)
InChIKeyJHCPQOJNTITLLI-UHFFFAOYSA-N
XLogP0.79
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
N-methyl-4-[1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 136542970
4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256822
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
4-(1-butanoylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 122256660
4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256686
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 122256644
4-[1-(phenylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256998
4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747
4-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256922
4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
4-[1-(4-fluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256712

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide (CID 126827884) is N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(OC2CCCN(C(=O)C3CC(=O)C3)C2)ccn1.
What is the InChIKey of N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is JHCPQOJNTITLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-18-16(22)15-9-13(4-5-19-15)24-14-3-2-6-20(10-14)17(23)11-7-12(21)8-11/h4-5,9,11,14H,2-3,6-8,10H2,1H3,(H,18,22).
What are the key properties of N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide?
N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(3-oxocyclobutanecarbonyl)piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 126827884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).