N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide

C22H21N3O4 — CID 8697625

IUPACN-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1)c1ccccc1C
InChIInChI=1S/C22H21N3O4/c1-3-24(20-10-5-4-7-16(20)2)22(27)18-11-12-21(26)23(15-18)14-17-8-6-9-19(13-17)25(28)29/h4-13,15H,3,14H2,1-2H3
InChIKeyPLUUURLVNADUHI-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.78
Rot. Bonds6

About N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide

N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 8697625) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID8697625
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1)c1ccccc1C
InChIInChI=1S/C22H21N3O4/c1-3-24(20-10-5-4-7-16(20)2)22(27)18-11-12-21(26)23(15-18)14-17-8-6-9-19(13-17)25(28)29/h4-13,15H,3,14H2,1-2H3
InChIKeyPLUUURLVNADUHI-UHFFFAOYSA-N
XLogP3.78
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
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

N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582736
N-ethyl-N-(3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671252
N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582715
N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide
CID 55739191
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671373
5-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-1-[(3-nitrophenyl)methyl]pyridin-2-one
CID 41398198
1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 58020009
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
2-(5-amino-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62816853
1-[(3-fluoro-5-nitrophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 115980740
N-ethyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
CID 9453926
1-[(2-methylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine;oxalic acid
CID 17367306

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 8697625) is N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is CCN(C(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1)c1ccccc1C.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is PLUUURLVNADUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-3-24(20-10-5-4-7-16(20)2)22(27)18-11-12-21(26)23(15-18)14-17-8-6-9-19(13-17)25(28)29/h4-13,15H,3,14H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8697625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).