4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine

C11H11N5O2 — CID 114071056

IUPAC4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
SMILESNc1cc([N+](=O)[O-])cc(NCc2cccnc2)n1
InChIInChI=1S/C11H11N5O2/c12-10-4-9(16(17)18)5-11(15-10)14-7-8-2-1-3-13-6-8/h1-6H,7H2,(H3,12,14,15)
InChIKeyMIIFRUDPWFDYDU-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.58
Rot. Bonds4

About 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine

4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine (PubChem CID 114071056) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
PubChem CID114071056
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
SMILESNc1cc([N+](=O)[O-])cc(NCc2cccnc2)n1
InChIInChI=1S/C11H11N5O2/c12-10-4-9(16(17)18)5-11(15-10)14-7-8-2-1-3-13-6-8/h1-6H,7H2,(H3,12,14,15)
InChIKeyMIIFRUDPWFDYDU-UHFFFAOYSA-N
XLogP1.58
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.58
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 4-nitro-6-N-(pyridin-3-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

6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 80648081
5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 56762955
6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 80718550
6-N-[(5-ethylthiophen-2-yl)methyl]-4-nitropyridine-2,6-diamine
CID 106015252
3,5-dinitro-2-(pyridin-3-ylmethylamino)benzoic acid
CID 2838912
6-N-[(1-methylimidazol-2-yl)methyl]-4-nitropyridine-2,6-diamine
CID 114071172
5-nitro-2-(pyridin-3-ylmethylamino)pyridine-3-carbonitrile
CID 55021305
3-ethoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 80724171
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
3-nitro-5-(3-pyridin-3-ylpropyl)aniline
CID 173252206
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079
2,6-dichloro-4-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 104917126

Frequently Asked Questions

What is the IUPAC name of 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine (CID 114071056) is 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine is Nc1cc([N+](=O)[O-])cc(NCc2cccnc2)n1.
What is the InChIKey of 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine?
The InChIKey is MIIFRUDPWFDYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-10-4-9(16(17)18)5-11(15-10)14-7-8-2-1-3-13-6-8/h1-6H,7H2,(H3,12,14,15).
What are the key properties of 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine?
4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine has a molecular weight of 245.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 114071056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).