5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide

C19H21N5O6 — CID 55531473

IUPAC5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)c1
InChIInChI=1S/C19H21N5O6/c1-10-4-11(2)17(12(3)5-10)22-15(25)7-21-16(26)9-23-8-13(24(29)30)6-14(18(20)27)19(23)28/h4-6,8H,7,9H2,1-3H3,(H2,20,27)(H,21,26)(H,22,25)
InChIKeyKBNKPRLTKVJSCS-UHFFFAOYSA-N
MW415.41 g/mol
LogP0.54
Rot. Bonds7

About 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide

5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 55531473) has the molecular formula C19H21N5O6 and a molecular weight of 415.41 g/mol. Its IUPAC name is 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID55531473
Molecular FormulaC19H21N5O6
Molecular Weight415.41 g/mol
Exact Mass415.15
IUPAC Name5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)c1
InChIInChI=1S/C19H21N5O6/c1-10-4-11(2)17(12(3)5-10)22-15(25)7-21-16(26)9-23-8-13(24(29)30)6-14(18(20)27)19(23)28/h4-6,8H,7,9H2,1-3H3,(H2,20,27)(H,21,26)(H,22,25)
InChIKeyKBNKPRLTKVJSCS-UHFFFAOYSA-N
XLogP0.54
TPSA166.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4-nitrophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26714074
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 42944838
1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 25490131
N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890150
1-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55546776
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55546364
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 5-nitro-2-piperidin-1-ylbenzoate
CID 46793012
5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 34351279
N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572317
1-[2-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 25379996
5-nitro-2-oxo-1-[2-oxo-2-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]amino]ethyl]pyridine-3-carboxamide
CID 39037579

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide (CID 55531473) is 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)c1.
What is the InChIKey of 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is KBNKPRLTKVJSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O6/c1-10-4-11(2)17(12(3)5-10)22-15(25)7-21-16(26)9-23-8-13(24(29)30)6-14(18(20)27)19(23)28/h4-6,8H,7,9H2,1-3H3,(H2,20,27)(H,21,26)(H,22,25).
What are the key properties of 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide?
5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-oxo-1-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55531473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).