N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide

C16H23N3O3 — CID 126454293

IUPACN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)[nH]1
InChIInChI=1S/C16H23N3O3/c1-10-5-12(20)7-13(18-10)15(22)17-8-11-6-14(21)19(9-11)16(2,3)4/h5,7,11H,6,8-9H2,1-4H3,(H,17,22)(H,18,20)/t11-/m1/s1
InChIKeyWUOWJTUFCUDIJN-LLVKDONJSA-N
MW305.38 g/mol
LogP1.06
Rot. Bonds3

About N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide

N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 126454293) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
PubChem CID126454293
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)[nH]1
InChIInChI=1S/C16H23N3O3/c1-10-5-12(20)7-13(18-10)15(22)17-8-11-6-14(21)19(9-11)16(2,3)4/h5,7,11H,6,8-9H2,1-4H3,(H,17,22)(H,18,20)/t11-/m1/s1
InChIKeyWUOWJTUFCUDIJN-LLVKDONJSA-N
XLogP1.06
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide (CID 126454293) is N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)[nH]1.
What is the InChIKey of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is WUOWJTUFCUDIJN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-5-12(20)7-13(18-10)15(22)17-8-11-6-14(21)19(9-11)16(2,3)4/h5,7,11H,6,8-9H2,1-4H3,(H,17,22)(H,18,20)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide?
N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 126454293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).