N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide

C19H15N3O4 — CID 70867966

IUPACN-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide
SMILESCc1ncccc1NC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O4/c1-13-17(6-4-12-20-13)21-19(23)16-5-2-3-7-18(16)26-15-10-8-14(9-11-15)22(24)25/h2-12H,1H3,(H,21,23)
InChIKeyJPFQDONZUPDWIT-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.34
Rot. Bonds5

About N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide

N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide (PubChem CID 70867966) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide
PubChem CID70867966
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide
SMILESCc1ncccc1NC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O4/c1-13-17(6-4-12-20-13)21-19(23)16-5-2-3-7-18(16)26-15-10-8-14(9-11-15)22(24)25/h2-12H,1H3,(H,21,23)
InChIKeyJPFQDONZUPDWIT-UHFFFAOYSA-N
XLogP4.34
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.34
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

1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide
CID 70868013
2-(4-nitrophenoxy)benzoic acid
CID 139059188
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
5-fluoro-N-(2-methyl-3-pyridinyl)-2-nitrobenzamide
CID 79041873
N,N-dimethyl-2-(4-nitrophenoxy)benzamide
CID 70538094
2-chloro-N-[2-(4-ethoxyphenoxy)phenyl]-4-nitrobenzamide
CID 8873797
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-nitrobenzamide
CID 55764079
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673
1-(3,5-dimethylphenyl)-3-[2-(4-nitrophenoxy)phenyl]urea
CID 18431146

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide?
The IUPAC name of N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide (CID 70867966) is N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide.
What is the SMILES notation for N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide?
The canonical SMILES for N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide is Cc1ncccc1NC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide?
The InChIKey is JPFQDONZUPDWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-13-17(6-4-12-20-13)21-19(23)16-5-2-3-7-18(16)26-15-10-8-14(9-11-15)22(24)25/h2-12H,1H3,(H,21,23).
What are the key properties of N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide?
N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide has a molecular weight of 349.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide is sourced from PubChem (CID 70867966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).