2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide

C14H19N3O3 — CID 125136966

IUPAC2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O3/c1-8(2)17-7-11(6-13(17)19)16-14(20)10-4-9(3)15-12(18)5-10/h4-5,8,11H,6-7H2,1-3H3,(H,15,18)(H,16,20)/t11-/m0/s1
InChIKeyIICADAWNXDPZEC-NSHDSACASA-N
MW277.32 g/mol
LogP0.42
Rot. Bonds3

About 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide

2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide (PubChem CID 125136966) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide
PubChem CID125136966
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O3/c1-8(2)17-7-11(6-13(17)19)16-14(20)10-4-9(3)15-12(18)5-10/h4-5,8,11H,6-7H2,1-3H3,(H,15,18)(H,16,20)/t11-/m0/s1
InChIKeyIICADAWNXDPZEC-NSHDSACASA-N
XLogP0.42
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide (CID 125136966) is 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide is Cc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide?
The InChIKey is IICADAWNXDPZEC-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(2)17-7-11(6-13(17)19)16-14(20)10-4-9(3)15-12(18)5-10/h4-5,8,11H,6-7H2,1-3H3,(H,15,18)(H,16,20)/t11-/m0/s1.
What are the key properties of 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide?
2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 125136966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).