4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide

C11H15N3O4S — CID 173089877

IUPAC4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide
SMILESCNC(=O)CCc1cc(S(C)(=O)=O)ncc1C(N)=O
InChIInChI=1S/C11H15N3O4S/c1-13-9(15)4-3-7-5-10(19(2,17)18)14-6-8(7)11(12)16/h5-6H,3-4H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyFPULSYRIMXCZIP-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.74
Rot. Bonds5

About 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide

4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide (PubChem CID 173089877) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide
PubChem CID173089877
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide
SMILESCNC(=O)CCc1cc(S(C)(=O)=O)ncc1C(N)=O
InChIInChI=1S/C11H15N3O4S/c1-13-9(15)4-3-7-5-10(19(2,17)18)14-6-8(7)11(12)16/h5-6H,3-4H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyFPULSYRIMXCZIP-UHFFFAOYSA-N
XLogP-0.74
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide (CID 173089877) is 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide is CNC(=O)CCc1cc(S(C)(=O)=O)ncc1C(N)=O.
What is the InChIKey of 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide?
The InChIKey is FPULSYRIMXCZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-13-9(15)4-3-7-5-10(19(2,17)18)14-6-8(7)11(12)16/h5-6H,3-4H2,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide?
4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide has a molecular weight of 285.32 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 173089877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).