N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide

C20H18N3O4+ — CID 8876109

IUPACN-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H17N3O4/c1-27-17-9-10-18(19(12-17)23(25)26)21-20(24)14-22-11-5-8-16(13-22)15-6-3-2-4-7-15/h2-13H,14H2,1H3/p+1
InChIKeyBZOJNDYFMSKWPC-UHFFFAOYSA-O
MW364.38 g/mol
LogP3.20
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (PubChem CID 8876109) has the molecular formula C20H18N3O4+ and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
PubChem CID8876109
Molecular FormulaC20H18N3O4+
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H17N3O4/c1-27-17-9-10-18(19(12-17)23(25)26)21-20(24)14-22-11-5-8-16(13-22)15-6-3-2-4-7-15/h2-13H,14H2,1H3/p+1
InChIKeyBZOJNDYFMSKWPC-UHFFFAOYSA-O
XLogP3.20
TPSA85.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.20
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827015
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-4-phenylbenzamide
CID 4939789
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
2-(4-fluorophenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7544866
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide (CID 8876109) is N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is COc1ccc(NC(=O)C[n+]2cccc(-c3ccccc3)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
The InChIKey is BZOJNDYFMSKWPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17N3O4/c1-27-17-9-10-18(19(12-17)23(25)26)21-20(24)14-22-11-5-8-16(13-22)15-6-3-2-4-7-15/h2-13H,14H2,1H3/p+1.
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide has a molecular weight of 364.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8876109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).