1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide

C12H17N3O2 — CID 71101193

IUPAC1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCNCC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-15-8-2-3-10(12(15)17)11(16)14-9-4-6-13-7-5-9/h2-3,8-9,13H,4-7H2,1H3,(H,14,16)
InChIKeyFSZPWXNRFSBYDX-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.13
Rot. Bonds2

About 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide

1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 71101193) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
PubChem CID71101193
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCNCC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-15-8-2-3-10(12(15)17)11(16)14-9-4-6-13-7-5-9/h2-3,8-9,13H,4-7H2,1H3,(H,14,16)
InChIKeyFSZPWXNRFSBYDX-UHFFFAOYSA-N
XLogP-0.13
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide (CID 71101193) is 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide is Cn1cccc(C(=O)NC2CCNCC2)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is FSZPWXNRFSBYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-8-2-3-10(12(15)17)11(16)14-9-4-6-13-7-5-9/h2-3,8-9,13H,4-7H2,1H3,(H,14,16).
What are the key properties of 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide?
1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 71101193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).