N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

C9H14N4O2 — CID 62688298

IUPACN'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1N(C)CCN
InChIInChI=1S/C9H14N4O2/c1-7-5-8(13(14)15)6-11-9(7)12(2)4-3-10/h5-6H,3-4,10H2,1-2H3
InChIKeyBNTMOXRCDFPTHF-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.69
Rot. Bonds4

About N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 62688298) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID62688298
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1N(C)CCN
InChIInChI=1S/C9H14N4O2/c1-7-5-8(13(14)15)6-11-9(7)12(2)4-3-10/h5-6H,3-4,10H2,1-2H3
InChIKeyBNTMOXRCDFPTHF-UHFFFAOYSA-N
XLogP0.69
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.69
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'}

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Related Compounds

methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate
CID 62477602
2-[3-aminopropyl(methyl)amino]-5-nitropyridine-3-carbonitrile
CID 113285817
N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethyl-5-nitropyridin-2-amine
CID 56571004
N'-ethyl-2,2-dimethyl-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79662020
2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine
CID 62476059
2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 102869000
2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol
CID 62476555
tert-butyl-(3-methyl-5-nitro-2-pyridinyl)carbamic acid
CID 66927025
2-[1-(3-methyl-5-nitro-2-pyridinyl)imidazol-2-yl]ethanamine
CID 62476232
4-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]benzonitrile
CID 62981573
N-(2-aminoethyl)-N,2-dimethyl-4-nitrobenzamide
CID 62682941
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77017344

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (CID 62688298) is N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is Cc1cc([N+](=O)[O-])cnc1N(C)CCN.
What is the InChIKey of N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is BNTMOXRCDFPTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-5-8(13(14)15)6-11-9(7)12(2)4-3-10/h5-6H,3-4,10H2,1-2H3.
What are the key properties of N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 62688298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).