6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine

C13H21N5O2 — CID 106641902

IUPAC6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine
SMILESCCN(CC1CCCCN1)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H21N5O2/c1-2-17(9-10-5-3-4-8-15-10)12-7-6-11(18(19)20)13(14)16-12/h6-7,10,15H,2-5,8-9H2,1H3,(H2,14,16)
InChIKeyQCMFWVDXOSFWGR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds5

About 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine

6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine (PubChem CID 106641902) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine
PubChem CID106641902
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine
SMILESCCN(CC1CCCCN1)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H21N5O2/c1-2-17(9-10-5-3-4-8-15-10)12-7-6-11(18(19)20)13(14)16-12/h6-7,10,15H,2-5,8-9H2,1H3,(H2,14,16)
InChIKeyQCMFWVDXOSFWGR-UHFFFAOYSA-N
XLogP1.54
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
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 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine 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-bromo-N-ethyl-6-methyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 114046810
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
5-chloro-N-ethyl-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619287
N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641710
3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642480
4-bromo-N-ethyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641602
N-ethyl-3-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641910
N-ethyl-3-methoxy-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641581
2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
CID 106641549
N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641770
N-ethyl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106619421
1-N-(2-methoxyethyl)-4-nitro-1-N-(pyrrolidin-2-ylmethyl)benzene-1,3-diamine
CID 106750035

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine (CID 106641902) is 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine is CCN(CC1CCCCN1)c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine?
The InChIKey is QCMFWVDXOSFWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-17(9-10-5-3-4-8-15-10)12-7-6-11(18(19)20)13(14)16-12/h6-7,10,15H,2-5,8-9H2,1H3,(H2,14,16).
What are the key properties of 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine?
6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine has a molecular weight of 279.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 106641902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).