6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide

C16H16N4O4 — CID 8990926

IUPAC6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cccc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C16H16N4O4/c1-11-5-6-13(10-19-11)16(22)18-8-7-17-15(21)12-3-2-4-14(9-12)20(23)24/h2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,22)
InChIKeyMANDSNFIXAGPJK-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.46
Rot. Bonds6

About 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide

6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 8990926) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID8990926
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2cccc([N+](=O)[O-])c2)cn1
InChIInChI=1S/C16H16N4O4/c1-11-5-6-13(10-19-11)16(22)18-8-7-17-15(21)12-3-2-4-14(9-12)20(23)24/h2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,22)
InChIKeyMANDSNFIXAGPJK-UHFFFAOYSA-N
XLogP1.46
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N-[7-[(3-nitrobenzoyl)amino]heptyl]benzamide
CID 3626830
N-(bromomethyl)-3-nitrobenzamide
CID 152767931
N-(3-acetamidopropyl)-3-nitrobenzamide
CID 38449857
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-3-nitrobenzamide
CID 121062107
6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 8990949
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
N-[3-(4-methylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19327965
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19293636
N-(4-methylpentyl)-3-nitrobenzamide
CID 3280020
N-[3-(dimethylamino)-3-oxopropyl]-3-nitrobenzamide
CID 134025655
2-methyl-4-[(3-nitrobenzoyl)amino]butanoic acid
CID 80538103
N-[3-[[4-(aminomethyl)benzoyl]amino]propyl]-3-nitrobenzamide
CID 82097424

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide (CID 8990926) is 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2cccc([N+](=O)[O-])c2)cn1.
What is the InChIKey of 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is MANDSNFIXAGPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-11-5-6-13(10-19-11)16(22)18-8-7-17-15(21)12-3-2-4-14(9-12)20(23)24/h2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide?
6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 8990926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).