N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide

C18H20N4O3 — CID 2970193

IUPACN-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide
SMILESCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1
InChIInChI=1S/C18H20N4O3/c1-13-6-5-7-17(19-13)20-18(23)15-12-14(22(24)25)8-9-16(15)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,19,20,23)
InChIKeyBAKCNAKUVWVVGM-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.54
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide

N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide (PubChem CID 2970193) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide
PubChem CID2970193
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide
SMILESCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1
InChIInChI=1S/C18H20N4O3/c1-13-6-5-7-17(19-13)20-18(23)15-12-14(22(24)25)8-9-16(15)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,19,20,23)
InChIKeyBAKCNAKUVWVVGM-UHFFFAOYSA-N
XLogP3.54
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide (CID 2970193) is N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide is Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide?
The InChIKey is BAKCNAKUVWVVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-6-5-7-17(19-13)20-18(23)15-12-14(22(24)25)8-9-16(15)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,19,20,23).
What are the key properties of N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide?
N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide has a molecular weight of 340.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-5-nitro-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 2970193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).