4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide

C17H18N4O4 — CID 2996088

IUPAC4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N4O4/c22-17(19-12-13-2-1-5-18-11-13)14-3-4-15(16(10-14)21(23)24)20-6-8-25-9-7-20/h1-5,10-11H,6-9,12H2,(H,19,22)
InChIKeyJXWKQOXNDCBKNF-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.76
Rot. Bonds5

About 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide

4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2996088) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2996088
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N4O4/c22-17(19-12-13-2-1-5-18-11-13)14-3-4-15(16(10-14)21(23)24)20-6-8-25-9-7-20/h1-5,10-11H,6-9,12H2,(H,19,22)
InChIKeyJXWKQOXNDCBKNF-UHFFFAOYSA-N
XLogP1.76
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
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-(4-acetylpiperazin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 51192594
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
4-[[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]methyl]benzoic acid
CID 28688208
N-[(6-methoxynaphthalen-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 16962073
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
CID 23931407
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
CID 18139156
4-methyl-3-nitro-N-[4-piperidin-1-yl-3-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1055047
1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 72913541
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 39709211
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 43967700
4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378817

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide (CID 2996088) is 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JXWKQOXNDCBKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-17(19-12-13-2-1-5-18-11-13)14-3-4-15(16(10-14)21(23)24)20-6-8-25-9-7-20/h1-5,10-11H,6-9,12H2,(H,19,22).
What are the key properties of 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 342.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2996088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).