2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide

C12H18N6O3 — CID 79825671

IUPAC2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C12H18N6O3/c13-10(19)7-17-5-3-8(4-6-17)15-11-2-1-9(18(20)21)12(14)16-11/h1-2,8H,3-7H2,(H2,13,19)(H3,14,15,16)
InChIKeyIKYYUVJLVWRJCX-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.07
Rot. Bonds5

About 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide

2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide (PubChem CID 79825671) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
PubChem CID79825671
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])c(N)n2)CC1
InChIInChI=1S/C12H18N6O3/c13-10(19)7-17-5-3-8(4-6-17)15-11-2-1-9(18(20)21)12(14)16-11/h1-2,8H,3-7H2,(H2,13,19)(H3,14,15,16)
InChIKeyIKYYUVJLVWRJCX-UHFFFAOYSA-N
XLogP-0.07
TPSA140.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide 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

2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 106193246
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
2-[4-[(6-chloro-4-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 103888341
2-[4-[(6-bromo-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 114156475
2-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 54895410
2-[4-[(5-fluoro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 61311404
2-[4-[(5-aminopyrazin-2-yl)amino]piperidin-1-yl]acetamide
CID 80652731
N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 32884003
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-nitropyridine-2,6-diamine
CID 79825880
6-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 80718381
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
CID 115306741

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide (CID 79825671) is 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])c(N)n2)CC1.
What is the InChIKey of 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The InChIKey is IKYYUVJLVWRJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c13-10(19)7-17-5-3-8(4-6-17)15-11-2-1-9(18(20)21)12(14)16-11/h1-2,8H,3-7H2,(H2,13,19)(H3,14,15,16).
What are the key properties of 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide has a molecular weight of 294.31 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 79825671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).