N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide

C21H25N5O4 — CID 55922961

IUPACN-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc1
InChIInChI=1S/C21H25N5O4/c1-15-6-7-19(22-14-15)24-21(28)16-8-11-25(12-9-16)13-10-20(27)23-17-4-2-3-5-18(17)26(29)30/h2-7,14,16H,8-13H2,1H3,(H,23,27)(H,22,24,28)
InChIKeyULZFCFWFQZKWQE-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.98
Rot. Bonds7

About N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 55922961) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID55922961
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc1
InChIInChI=1S/C21H25N5O4/c1-15-6-7-19(22-14-15)24-21(28)16-8-11-25(12-9-16)13-10-20(27)23-17-4-2-3-5-18(17)26(29)30/h2-7,14,16H,8-13H2,1H3,(H,23,27)(H,22,24,28)
InChIKeyULZFCFWFQZKWQE-UHFFFAOYSA-N
XLogP2.98
TPSA117.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
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'}

Analyze N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 55995289
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
N-(5-bromo-2-pyridinyl)-1-[3-(4-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 55922044
1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2919057
3-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 14762588
2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
CID 31480734
3-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
CID 19568122
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 46518147
1-[(2-methyl-3-nitrophenyl)methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 47069581
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55626282
N-(5-methyl-2-pyridinyl)-2-(2-nitrophenoxy)acetamide
CID 2319869

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide (CID 55922961) is N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is ULZFCFWFQZKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-15-6-7-19(22-14-15)24-21(28)16-8-11-25(12-9-16)13-10-20(27)23-17-4-2-3-5-18(17)26(29)30/h2-7,14,16H,8-13H2,1H3,(H,23,27)(H,22,24,28).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 55922961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).