N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide

C14H20N4O3 — CID 141358879

IUPACN-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide
SMILESCC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C14H20N4O3/c1-11-5-7-17(8-6-11)10-14(19)16(2)13-4-3-12(9-15-13)18(20)21/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyYAGOSBVQNIYVCT-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.68
Rot. Bonds4

About N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide

N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide (PubChem CID 141358879) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide
PubChem CID141358879
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide
SMILESCC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C14H20N4O3/c1-11-5-7-17(8-6-11)10-14(19)16(2)13-4-3-12(9-15-13)18(20)21/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyYAGOSBVQNIYVCT-UHFFFAOYSA-N
XLogP1.68
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide?
The IUPAC name of N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide (CID 141358879) is N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide?
The canonical SMILES for N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide is CC1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide?
The InChIKey is YAGOSBVQNIYVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-11-5-7-17(8-6-11)10-14(19)16(2)13-4-3-12(9-15-13)18(20)21/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide?
N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperidin-1-yl)-N-(5-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 141358879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).