3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide

C16H23N3O3 — CID 45498147

IUPAC3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O
InChIInChI=1S/C16H23N3O3/c1-11(2)8-14(20)17-13-9-12(10-18(3)16(13)22)15(21)19-6-4-5-7-19/h9-11H,4-8H2,1-3H3,(H,17,20)
InChIKeyDWNJMFZYJDJMQK-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.61
Rot. Bonds4

About 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide

3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide (PubChem CID 45498147) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide
PubChem CID45498147
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O
InChIInChI=1S/C16H23N3O3/c1-11(2)8-14(20)17-13-9-12(10-18(3)16(13)22)15(21)19-6-4-5-7-19/h9-11H,4-8H2,1-3H3,(H,17,20)
InChIKeyDWNJMFZYJDJMQK-UHFFFAOYSA-N
XLogP1.61
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide (CID 45498147) is 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O.
What is the InChIKey of 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide?
The InChIKey is DWNJMFZYJDJMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)8-14(20)17-13-9-12(10-18(3)16(13)22)15(21)19-6-4-5-7-19/h9-11H,4-8H2,1-3H3,(H,17,20).
What are the key properties of 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide?
3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide has a molecular weight of 305.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide is sourced from PubChem (CID 45498147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).