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

C15H21N3O3 — CID 45496882

IUPACN-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O
InChIInChI=1S/C15H21N3O3/c1-3-6-13(19)16-12-9-11(10-17(2)15(12)21)14(20)18-7-4-5-8-18/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyCGVZSSFDXDEZDD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.36
Rot. Bonds4

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

N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide (PubChem CID 45496882) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide
PubChem CID45496882
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O
InChIInChI=1S/C15H21N3O3/c1-3-6-13(19)16-12-9-11(10-17(2)15(12)21)14(20)18-7-4-5-8-18/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyCGVZSSFDXDEZDD-UHFFFAOYSA-N
XLogP1.36
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide?
The IUPAC name of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide (CID 45496882) is N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide.
What is the SMILES notation for N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide?
The canonical SMILES for N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide is CCCC(=O)Nc1cc(C(=O)N2CCCC2)cn(C)c1=O.
What is the InChIKey of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide?
The InChIKey is CGVZSSFDXDEZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-6-13(19)16-12-9-11(10-17(2)15(12)21)14(20)18-7-4-5-8-18/h9-10H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide?
N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide has a molecular weight of 291.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-3-pyridinyl]butanamide is sourced from PubChem (CID 45496882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).