N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C18H18N4O4 — CID 55811564

IUPACN-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)C2CC(=O)N(Cc3ccccn3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H18N4O4/c1-12-15(6-4-7-16(12)22(25)26)20-18(24)13-9-17(23)21(10-13)11-14-5-2-3-8-19-14/h2-8,13H,9-11H2,1H3,(H,20,24)
InChIKeyALWIQYOZPQSHDI-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.29
Rot. Bonds5

About N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 55811564) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID55811564
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)C2CC(=O)N(Cc3ccccn3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H18N4O4/c1-12-15(6-4-7-16(12)22(25)26)20-18(24)13-9-17(23)21(10-13)11-14-5-2-3-8-19-14/h2-8,13H,9-11H2,1H3,(H,20,24)
InChIKeyALWIQYOZPQSHDI-UHFFFAOYSA-N
XLogP2.29
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-5-oxo-1-(pyridin-2-ylmethyl)-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 94081377
1-methyl-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42956829
N-(3-methoxy-2-methyl-4-pyridinyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 157020157
(3R)-N-(5-methyl-2-pyridinyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38418060
(3R)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38825226
N-(2,4-dichlorophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 75808688
N-(2-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468233
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55683678
N-[4-(diethylamino)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183968
methyl 4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 51940737
1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885882
(3R)-1-[(2R)-1-methoxypropan-2-yl]-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9365248

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 55811564) is N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1c(NC(=O)C2CC(=O)N(Cc3ccccn3)C2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is ALWIQYOZPQSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-12-15(6-4-7-16(12)22(25)26)20-18(24)13-9-17(23)21(10-13)11-14-5-2-3-8-19-14/h2-8,13H,9-11H2,1H3,(H,20,24).
What are the key properties of N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55811564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).