N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide

C15H16N4O3 — CID 133407553

IUPACN-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O3/c1-11(20)16-9-10-17-14-8-7-13(19(21)22)15(18-14)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,20)(H,17,18)
InChIKeyMDCZWGIPGXSPLW-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.20
Rot. Bonds6

About N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide

N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 133407553) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
PubChem CID133407553
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1
InChIInChI=1S/C15H16N4O3/c1-11(20)16-9-10-17-14-8-7-13(19(21)22)15(18-14)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,20)(H,17,18)
InChIKeyMDCZWGIPGXSPLW-UHFFFAOYSA-N
XLogP2.20
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.20
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'}

Analyze N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
CID 133409481
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
CID 133459077
2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133407596
N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide
CID 133409032
N-[2-[[6-[(3-bromophenyl)methylamino]-3-nitro-2-pyridinyl]amino]ethyl]acetamide
CID 66838435
4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133407312
N-[2-[[6-[(4-fluorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]ethyl]acetamide
CID 66934455
N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 22353404
N-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]acetamide
CID 80786842
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993
1,1-dimethyl-3-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]urea
CID 83113239
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide (CID 133407553) is N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide is CC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1.
What is the InChIKey of N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is MDCZWGIPGXSPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-11(20)16-9-10-17-14-8-7-13(19(21)22)15(18-14)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide?
N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 133407553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).