2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide

C15H22N4O3 — CID 133363039

IUPAC2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCC(C)CC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1
InChIInChI=1S/C15H22N4O3/c1-10(2)7-11-3-5-18(6-4-11)15-13(14(16)20)8-12(9-17-15)19(21)22/h8-11H,3-7H2,1-2H3,(H2,16,20)
InChIKeyKHPSQBLZAWUSAE-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.35
Rot. Bonds5

About 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide

2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide (PubChem CID 133363039) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
PubChem CID133363039
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCC(C)CC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1
InChIInChI=1S/C15H22N4O3/c1-10(2)7-11-3-5-18(6-4-11)15-13(14(16)20)8-12(9-17-15)19(21)22/h8-11H,3-7H2,1-2H3,(H2,16,20)
InChIKeyKHPSQBLZAWUSAE-UHFFFAOYSA-N
XLogP2.35
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
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'}

Analyze 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-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

5-nitro-2-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133326344
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133464882
2-(4-ethylpiperidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935223
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 76934954
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
2-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133349682
1-(3-carbamoyl-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371889
2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133279381
1-(3-carbamoyl-5-nitro-2-pyridinyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776402
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-nitropyridine-3-carboxamide
CID 133344317
5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133476732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide (CID 133363039) is 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide is CC(C)CC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The InChIKey is KHPSQBLZAWUSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)7-11-3-5-18(6-4-11)15-13(14(16)20)8-12(9-17-15)19(21)22/h8-11H,3-7H2,1-2H3,(H2,16,20).
What are the key properties of 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide?
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133363039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).