N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide

C15H16N4O4 — CID 47067450

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide
SMILESCn1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1=O
InChIInChI=1S/C15H16N4O4/c1-18-10-11(6-7-15(18)21)17-14(20)8-9-16-12-4-2-3-5-13(12)19(22)23/h2-7,10,16H,8-9H2,1H3,(H,17,20)
InChIKeyVGLVRUMBFDHAFH-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.73
Rot. Bonds6

About N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide

N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide (PubChem CID 47067450) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide
PubChem CID47067450
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide
SMILESCn1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1=O
InChIInChI=1S/C15H16N4O4/c1-18-10-11(6-7-15(18)21)17-14(20)8-9-16-12-4-2-3-5-13(12)19(22)23/h2-7,10,16H,8-9H2,1H3,(H,17,20)
InChIKeyVGLVRUMBFDHAFH-UHFFFAOYSA-N
XLogP1.73
TPSA106.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-5-(propanoylamino)phenyl]-3-(2-nitroanilino)propanamide
CID 46478294
N-(3,5-dimethoxyphenyl)-3-(2-nitroanilino)propanamide
CID 16962807
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-(2-nitroanilino)propanamide
CID 24620463
N-(3-bromophenyl)-3-(2-nitroanilino)propanamide
CID 16620730
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]-3-(2-nitroanilino)propanamide
CID 49499018
N-(5-fluoro-2-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16962362
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide
CID 16962812
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2-nitroanilino)propanamide
CID 46436330
N-ethoxy-3-(2-nitroanilino)propanamide
CID 51337314
3-methyl-2-[3-(2-nitroanilino)propanoylamino]butanoic acid
CID 119169891
N-(2-bromo-4-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16797523
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-nitroanilino)propanamide
CID 46442916

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide (CID 47067450) is N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide is Cn1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide?
The InChIKey is VGLVRUMBFDHAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-18-10-11(6-7-15(18)21)17-14(20)8-9-16-12-4-2-3-5-13(12)19(22)23/h2-7,10,16H,8-9H2,1H3,(H,17,20).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide?
N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide has a molecular weight of 316.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 47067450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).