N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide

C19H19N3O3 — CID 95292001

IUPACN-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccccc2)nc1C)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C19H19N3O3/c1-3-22(16-11-17(23)21-18(16)24)19(25)14-9-10-15(20-12(14)2)13-7-5-4-6-8-13/h4-10,16H,3,11H2,1-2H3,(H,21,23,24)/t16-/m0/s1
InChIKeyNLLNGZXONBNOFP-INIZCTEOSA-N
MW337.38 g/mol
LogP1.93
Rot. Bonds4

About N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide

N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide (PubChem CID 95292001) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide
PubChem CID95292001
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccccc2)nc1C)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C19H19N3O3/c1-3-22(16-11-17(23)21-18(16)24)19(25)14-9-10-15(20-12(14)2)13-7-5-4-6-8-13/h4-10,16H,3,11H2,1-2H3,(H,21,23,24)/t16-/m0/s1
InChIKeyNLLNGZXONBNOFP-INIZCTEOSA-N
XLogP1.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide (CID 95292001) is N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide is CCN(C(=O)c1ccc(-c2ccccc2)nc1C)[C@H]1CC(=O)NC1=O.
What is the InChIKey of N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide?
The InChIKey is NLLNGZXONBNOFP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-22(16-11-17(23)21-18(16)24)19(25)14-9-10-15(20-12(14)2)13-7-5-4-6-8-13/h4-10,16H,3,11H2,1-2H3,(H,21,23,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide?
N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 95292001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).