N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide

C18H13N3O4 — CID 4223458

IUPACN-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccncc1
InChIInChI=1S/C18H13N3O4/c22-18(13-6-8-19-9-7-13)20-14-10-15(21(23)24)12-17(11-14)25-16-4-2-1-3-5-16/h1-12H,(H,20,22)
InChIKeyMSAXPUHVKPPTNI-UHFFFAOYSA-N
MW335.32 g/mol
LogP4.03
Rot. Bonds5

About N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide

N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide (PubChem CID 4223458) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
PubChem CID4223458
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC NameN-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccncc1
InChIInChI=1S/C18H13N3O4/c22-18(13-6-8-19-9-7-13)20-14-10-15(21(23)24)12-17(11-14)25-16-4-2-1-3-5-16/h1-12H,(H,20,22)
InChIKeyMSAXPUHVKPPTNI-UHFFFAOYSA-N
XLogP4.03
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
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-nitrophenyl)-4-phenoxybenzamide
CID 7965638
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
N-(3-nitro-5-phenoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 3107712
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]acetamide
CID 101025595
4-nitro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262446
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-methylpyrazole-4-carboxamide
CID 19474688
4-(3,5-dimethoxybenzoyl)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]benzamide
CID 3480513
N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509260
5-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473414
N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide
CID 5213441

Frequently Asked Questions

What is the IUPAC name of N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide (CID 4223458) is N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide is O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccncc1.
What is the InChIKey of N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide?
The InChIKey is MSAXPUHVKPPTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-18(13-6-8-19-9-7-13)20-14-10-15(21(23)24)12-17(11-14)25-16-4-2-1-3-5-16/h1-12H,(H,20,22).
What are the key properties of N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide?
N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide has a molecular weight of 335.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 4223458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).