2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine

C14H25N5O2 — CID 80796707

IUPAC2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
SMILESCCCN(CCN(C)C)c1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-5-9-18(11-10-17(3)4)14-12(19(20)21)7-8-13(16-14)15-6-2/h7-8H,5-6,9-11H2,1-4H3,(H,15,16)
InChIKeyMBHLNWNFXMXZOH-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.20
Rot. Bonds9

About 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine

2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine (PubChem CID 80796707) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
PubChem CID80796707
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
SMILESCCCN(CCN(C)C)c1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-5-9-18(11-10-17(3)4)14-12(19(20)21)7-8-13(16-14)15-6-2/h7-8H,5-6,9-11H2,1-4H3,(H,15,16)
InChIKeyMBHLNWNFXMXZOH-UHFFFAOYSA-N
XLogP2.20
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
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 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine (CID 80796707) is 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine is CCCN(CCN(C)C)c1nc(NCC)ccc1[N+](=O)[O-].
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine?
The InChIKey is MBHLNWNFXMXZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-9-18(11-10-17(3)4)14-12(19(20)21)7-8-13(16-14)15-6-2/h7-8H,5-6,9-11H2,1-4H3,(H,15,16).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine?
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine has a molecular weight of 295.39 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80796707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).