6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine

C12H20N4O2 — CID 114071065

IUPAC6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine
SMILESCCCNc1cc([N+](=O)[O-])cc(N(C)CCC)n1
InChIInChI=1S/C12H20N4O2/c1-4-6-13-11-8-10(16(17)18)9-12(14-11)15(3)7-5-2/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyJRWXZFKAVQOHNH-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.66
Rot. Bonds7

About 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine

6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine (PubChem CID 114071065) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine
PubChem CID114071065
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine
SMILESCCCNc1cc([N+](=O)[O-])cc(N(C)CCC)n1
InChIInChI=1S/C12H20N4O2/c1-4-6-13-11-8-10(16(17)18)9-12(14-11)15(3)7-5-2/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyJRWXZFKAVQOHNH-UHFFFAOYSA-N
XLogP2.66
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.66
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 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-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

6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
CID 106332099
2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol
CID 106198537
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine
CID 114071063
6-nitro-N-propylquinolin-2-amine
CID 43450859
6-N-methyl-6-N-(2-methylsulfonylethyl)-4-nitropyridine-2,6-diamine
CID 114071220
4-N-butyl-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80753744
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
3-N-[2-(dimethylamino)ethyl]-3-N-methyl-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80845787
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 113345985

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine (CID 114071065) is 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine is CCCNc1cc([N+](=O)[O-])cc(N(C)CCC)n1.
What is the InChIKey of 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine?
The InChIKey is JRWXZFKAVQOHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-6-13-11-8-10(16(17)18)9-12(14-11)15(3)7-5-2/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine?
6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine is sourced from PubChem (CID 114071065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).