N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide

C23H20N4O4 — CID 8632262

IUPACN-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide
SMILESN#Cc1cc([N+](=O)[O-])cn(CC(=O)N(CCc2ccccc2)Cc2ccccc2)c1=O
InChIInChI=1S/C23H20N4O4/c24-14-20-13-21(27(30)31)16-26(23(20)29)17-22(28)25(15-19-9-5-2-6-10-19)12-11-18-7-3-1-4-8-18/h1-10,13,16H,11-12,15,17H2
InChIKeyPDLAJQVLAJQKCB-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.90
Rot. Bonds8

About N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide

N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide (PubChem CID 8632262) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide
PubChem CID8632262
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide
SMILESN#Cc1cc([N+](=O)[O-])cn(CC(=O)N(CCc2ccccc2)Cc2ccccc2)c1=O
InChIInChI=1S/C23H20N4O4/c24-14-20-13-21(27(30)31)16-26(23(20)29)17-22(28)25(15-19-9-5-2-6-10-19)12-11-18-7-3-1-4-8-18/h1-10,13,16H,11-12,15,17H2
InChIKeyPDLAJQVLAJQKCB-UHFFFAOYSA-N
XLogP2.90
TPSA109.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8632494
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 8632425
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 8632328
N-benzyl-4-nitro-N-(2-phenylethyl)benzamide
CID 26881227
N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
CID 71856381
N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide
CID 38980480
N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 8632179
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 8632452
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632273
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8632535
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8632561
5-nitro-2-oxo-1-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine-3-carbonitrile
CID 8632551

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide (CID 8632262) is N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide is N#Cc1cc([N+](=O)[O-])cn(CC(=O)N(CCc2ccccc2)Cc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide?
The InChIKey is PDLAJQVLAJQKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c24-14-20-13-21(27(30)31)16-26(23(20)29)17-22(28)25(15-19-9-5-2-6-10-19)12-11-18-7-3-1-4-8-18/h1-10,13,16H,11-12,15,17H2.
What are the key properties of N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide?
N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide has a molecular weight of 416.44 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 8632262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).