N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide

C20H16N4O4 — CID 39678604

IUPACN-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C20H16N4O4/c25-19(11-14-5-1-2-9-18(14)24(27)28)22-16-7-3-8-17(12-16)23-20(26)15-6-4-10-21-13-15/h1-10,12-13H,11H2,(H,22,25)(H,23,26)
InChIKeyQWAURVBDQVRFIX-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.42
Rot. Bonds6

About N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 39678604) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID39678604
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C20H16N4O4/c25-19(11-14-5-1-2-9-18(14)24(27)28)22-16-7-3-8-17(12-16)23-20(26)15-6-4-10-21-13-15/h1-10,12-13H,11H2,(H,22,25)(H,23,26)
InChIKeyQWAURVBDQVRFIX-UHFFFAOYSA-N
XLogP3.42
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.42
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

N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925213
N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide
CID 18144354
N-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 46400273
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
CID 4631764
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-[3-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]pyridine-3-carboxamide
CID 46424053
N-[3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678884

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide (CID 39678604) is N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is QWAURVBDQVRFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-19(11-14-5-1-2-9-18(14)24(27)28)22-16-7-3-8-17(12-16)23-20(26)15-6-4-10-21-13-15/h1-10,12-13H,11H2,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39678604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).