N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

C16H23N3O3 — CID 25461444

IUPACN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)10-19-9-11(8-13(19)20)18-14(21)12-6-5-7-17-15(12)22-4/h5-7,11H,8-10H2,1-4H3,(H,18,21)/t11-/m0/s1
InChIKeyLMDZRUOLLUCVMX-NSHDSACASA-N
MW305.38 g/mol
LogP1.47
Rot. Bonds4

About N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 25461444) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID25461444
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)10-19-9-11(8-13(19)20)18-14(21)12-6-5-7-17-15(12)22-4/h5-7,11H,8-10H2,1-4H3,(H,18,21)/t11-/m0/s1
InChIKeyLMDZRUOLLUCVMX-NSHDSACASA-N
XLogP1.47
TPSA71.53 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461445
2-methoxy-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 26333975
2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95290165
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56906658
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 45241705
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 56894023
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45217208
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
methyl 4-[(2-methoxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617208
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 25485689
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-phenylsulfanylacetamide
CID 42525734

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 25461444) is N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1.
What is the InChIKey of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is LMDZRUOLLUCVMX-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)10-19-9-11(8-13(19)20)18-14(21)12-6-5-7-17-15(12)22-4/h5-7,11H,8-10H2,1-4H3,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 25461444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).