N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide

C20H17N3O5 — CID 68790949

IUPACN-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H17N3O5/c1-28-18-6-5-13(12-22-20(25)15-7-8-21-19(24)11-15)9-17(18)14-3-2-4-16(10-14)23(26)27/h2-11H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyOUQBLBXXIZSWTQ-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.89
Rot. Bonds6

About N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide

N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 68790949) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID68790949
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H17N3O5/c1-28-18-6-5-13(12-22-20(25)15-7-8-21-19(24)11-15)9-17(18)14-3-2-4-16(10-14)23(26)27/h2-11H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyOUQBLBXXIZSWTQ-UHFFFAOYSA-N
XLogP2.89
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
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

tert-butyl N-[[3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenyl]methyl]carbamate
CID 58020362
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 39971484
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651
methyl 5-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxo-1H-pyridine-2-carboxylate
CID 68786234
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one
CID 58019968
4-methoxy-3-(3-nitrophenyl)benzoyl chloride
CID 118072392
2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
CID 68788738
N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 737682
N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 9269013
1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 58020009
4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 68790949) is N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc[nH]c(=O)c2)cc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is OUQBLBXXIZSWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-28-18-6-5-13(12-22-20(25)15-7-8-21-19(24)11-15)9-17(18)14-3-2-4-16(10-14)23(26)27/h2-11H,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 68790949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).