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

C24H28N4O4 — CID 66918905

IUPACN-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(N2CCC(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C24H28N4O4/c1-15-9-11-27(12-10-15)19-7-8-22(28(31)32)20(14-19)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)
InChIKeyOBLDZCAFLRMION-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.28
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide (PubChem CID 66918905) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide
PubChem CID66918905
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(N2CCC(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C24H28N4O4/c1-15-9-11-27(12-10-15)19-7-8-22(28(31)32)20(14-19)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)
InChIKeyOBLDZCAFLRMION-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide
CID 55786398
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 21229734
N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
CID 55786243
2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide
CID 47053984
N-[3-(cyclopropylcarbamoyl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 27447562
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 56559110
ethyl 5-(4-acetamidopiperidin-1-yl)-2-nitrobenzoate
CID 133360562
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 60534600
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169
N-(2,3-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4842911
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide (CID 66918905) is N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(N2CCC(C)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide?
The InChIKey is OBLDZCAFLRMION-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15-9-11-27(12-10-15)19-7-8-22(28(31)32)20(14-19)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-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-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-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide is sourced from PubChem (CID 66918905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).