3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide

C19H29N3O3 — CID 45498187

IUPAC3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)c(=O)n(C)c2)CC1
InChIInChI=1S/C19H29N3O3/c1-13-6-8-22(9-7-13)17(24)14-10-15(18(25)21(5)12-14)20-16(23)11-19(2,3)4/h10,12-13H,6-9,11H2,1-5H3,(H,20,23)
InChIKeyGCDOXMALIOQNQJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.63
Rot. Bonds3

About 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide

3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide (PubChem CID 45498187) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide
PubChem CID45498187
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)c(=O)n(C)c2)CC1
InChIInChI=1S/C19H29N3O3/c1-13-6-8-22(9-7-13)17(24)14-10-15(18(25)21(5)12-14)20-16(23)11-19(2,3)4/h10,12-13H,6-9,11H2,1-5H3,(H,20,23)
InChIKeyGCDOXMALIOQNQJ-UHFFFAOYSA-N
XLogP2.63
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide (CID 45498187) is 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide is CC1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)c(=O)n(C)c2)CC1.
What is the InChIKey of 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide?
The InChIKey is GCDOXMALIOQNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-6-8-22(9-7-13)17(24)14-10-15(18(25)21(5)12-14)20-16(23)11-19(2,3)4/h10,12-13H,6-9,11H2,1-5H3,(H,20,23).
What are the key properties of 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide?
3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide has a molecular weight of 347.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-methyl-5-(4-methylpiperidine-1-carbonyl)-2-oxo-3-pyridinyl]butanamide is sourced from PubChem (CID 45498187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).