N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide

C20H16N4O5 — CID 55610642

IUPACN-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C20H16N4O5/c25-19(13-29-18-6-4-17(5-7-18)24(27)28)22-15-2-1-3-16(12-15)23-20(26)14-8-10-21-11-9-14/h1-12H,13H2,(H,22,25)(H,23,26)
InChIKeySDXWYXAUTWFCAC-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.26
Rot. Bonds7

About N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 55610642) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID55610642
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC NameN-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C20H16N4O5/c25-19(13-29-18-6-4-17(5-7-18)24(27)28)22-15-2-1-3-16(12-15)23-20(26)14-8-10-21-11-9-14/h1-12H,13H2,(H,22,25)(H,23,26)
InChIKeySDXWYXAUTWFCAC-UHFFFAOYSA-N
XLogP3.26
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.26
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

4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1326900
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[3-(2-methoxyethoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 17169805
N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 9323564
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-[3-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187397
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]hexanamide
CID 26161226
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide (CID 55610642) is N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is SDXWYXAUTWFCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5/c25-19(13-29-18-6-4-17(5-7-18)24(27)28)22-15-2-1-3-16(12-15)23-20(26)14-8-10-21-11-9-14/h1-12H,13H2,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 392.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55610642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).