N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide

C16H19N4O3+ — CID 9195246

IUPACN-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)c1[nH+]cccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N4O3/c1-11-6-4-7-12(2)15(11)18-14(21)10-19(3)16-13(20(22)23)8-5-9-17-16/h4-9H,10H2,1-3H3,(H,18,21)/p+1
InChIKeyRWUDTFBGVVSTTP-UHFFFAOYSA-O
MW315.35 g/mol
LogP2.10
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide (PubChem CID 9195246) has the molecular formula C16H19N4O3+ and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide
PubChem CID9195246
Molecular FormulaC16H19N4O3+
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)c1[nH+]cccc1[N+](=O)[O-]
InChIInChI=1S/C16H18N4O3/c1-11-6-4-7-12(2)15(11)18-14(21)10-19(3)16-13(20(22)23)8-5-9-17-16/h4-9H,10H2,1-3H3,(H,18,21)/p+1
InChIKeyRWUDTFBGVVSTTP-UHFFFAOYSA-O
XLogP2.10
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide
CID 133334396
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8964424
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-nitropyridin-1-ium-2-amine
CID 9029967
N-(2,6-dimethylphenyl)-2-[N-methyl-4-nitro-3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 133334354
N-(5-chloro-2-methylphenyl)-2-[ethyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide
CID 9112894
N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9123048
2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
2-[4-[3-(dimethylamino)propylsulfamoyl]-N-methyl-2-nitroanilino]-N-(2,6-dimethylphenyl)acetamide
CID 4841596
N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9250777
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8805437
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 9251378

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide (CID 9195246) is N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)c1[nH+]cccc1[N+](=O)[O-].
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide?
The InChIKey is RWUDTFBGVVSTTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N4O3/c1-11-6-4-7-12(2)15(11)18-14(21)10-19(3)16-13(20(22)23)8-5-9-17-16/h4-9H,10H2,1-3H3,(H,18,21)/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide is sourced from PubChem (CID 9195246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).