N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide

C20H24N4O5 — CID 71910931

IUPACN-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCC(C)(C)Oc1ccncc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O5/c1-20(2,3)29-18-6-7-21-13-15(18)22-19(25)14-4-5-16(17(12-14)24(26)27)23-8-10-28-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyLPZXIYIZSLAGOU-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.26
Rot. Bonds5

About N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide

N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 71910931) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID71910931
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC NameN-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESCC(C)(C)Oc1ccncc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O5/c1-20(2,3)29-18-6-7-21-13-15(18)22-19(25)14-4-5-16(17(12-14)24(26)27)23-8-10-28-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)
InChIKeyLPZXIYIZSLAGOU-UHFFFAOYSA-N
XLogP3.26
TPSA106.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2979765
4-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236
methyl 4-morpholin-4-yl-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate
CID 17336608
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
4-morpholin-4-yl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 2994111
4-hydroxy-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid
CID 108730214
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
CID 23931407
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17118026
N-(3-iodo-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3299574
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide (CID 71910931) is N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide is CC(C)(C)Oc1ccncc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is LPZXIYIZSLAGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-20(2,3)29-18-6-7-21-13-15(18)22-19(25)14-4-5-16(17(12-14)24(26)27)23-8-10-28-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide?
N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 400.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 71910931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).