N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide

C24H28N4O4 — CID 55786398

IUPACN-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1
InChIInChI=1S/C24H28N4O4/c1-15-9-11-27(12-10-15)22-8-7-19(28(31)32)14-20(22)24(30)26-21-13-17(4-3-16(21)2)23(29)25-18-5-6-18/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyJOCUMVFDKNMTOY-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.28
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide

N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide (PubChem CID 55786398) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide
PubChem CID55786398
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1
InChIInChI=1S/C24H28N4O4/c1-15-9-11-27(12-10-15)22-8-7-19(28(31)32)14-20(22)24(30)26-21-13-17(4-3-16(21)2)23(29)25-18-5-6-18/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyJOCUMVFDKNMTOY-UHFFFAOYSA-N
XLogP4.28
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
CID 55786243
N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide
CID 66918905
2-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzoic acid
CID 28674359
N-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 9209368
N-(4-carbamoylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26252989
N-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26360859
N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 78794586
N-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 2906813
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095276
N-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26364765
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
N-[3-(dimethylcarbamoyl)phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 55529341

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide (CID 55786398) is N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide?
The InChIKey is JOCUMVFDKNMTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15-9-11-27(12-10-15)22-8-7-19(28(31)32)14-20(22)24(30)26-21-13-17(4-3-16(21)2)23(29)25-18-5-6-18/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide has a molecular weight of 436.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide is sourced from PubChem (CID 55786398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).