N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide

C13H12N4O3 — CID 94281750

IUPACN-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc([N+](=O)[O-])ccn2)cc1
InChIInChI=1S/C13H12N4O3/c1-9(18)15-10-2-4-11(5-3-10)16-13-8-12(17(19)20)6-7-14-13/h2-8H,1H3,(H,14,16)(H,15,18)
InChIKeyQJCSACMJSNTMSX-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.69
Rot. Bonds4

About N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide

N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide (PubChem CID 94281750) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide
PubChem CID94281750
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc([N+](=O)[O-])ccn2)cc1
InChIInChI=1S/C13H12N4O3/c1-9(18)15-10-2-4-11(5-3-10)16-13-8-12(17(19)20)6-7-14-13/h2-8H,1H3,(H,14,16)(H,15,18)
InChIKeyQJCSACMJSNTMSX-UHFFFAOYSA-N
XLogP2.69
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-nitrophenyl)urea
CID 67062216
N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide
CID 139794873
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
1,1-dimethyl-2-(4-nitro-2-pyridinyl)hydrazine
CID 83025826
4-chloro-N-(4-nitro-2-pyridinyl)benzamide
CID 3011452
1-[(4-nitro-2-pyridinyl)amino]butan-2-one
CID 159524521
tert-butyl N-[4-(4-nitroanilino)-2-pyridinyl]carbamate
CID 157043927
N-(3-methyl-4-pyridinyl)-4-nitropyridin-2-amine
CID 162746584
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177376
3-bromo-N-(4-nitro-2-pyridinyl)benzamide
CID 3011463

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide (CID 94281750) is N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc([N+](=O)[O-])ccn2)cc1.
What is the InChIKey of N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide?
The InChIKey is QJCSACMJSNTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-9(18)15-10-2-4-11(5-3-10)16-13-8-12(17(19)20)6-7-14-13/h2-8H,1H3,(H,14,16)(H,15,18).
What are the key properties of N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide?
N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide has a molecular weight of 272.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide is sourced from PubChem (CID 94281750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).