3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine

C12H13N5O2 — CID 146173085

IUPAC3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine
SMILESCc1c(Nc2ncccc2[N+](=O)[O-])cnc(N)c1C
InChIInChI=1S/C12H13N5O2/c1-7-8(2)11(13)15-6-9(7)16-12-10(17(18)19)4-3-5-14-12/h3-6H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyBRAGOGRNTOCZMP-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.33
Rot. Bonds3

About 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine

3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine (PubChem CID 146173085) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine
PubChem CID146173085
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine
SMILESCc1c(Nc2ncccc2[N+](=O)[O-])cnc(N)c1C
InChIInChI=1S/C12H13N5O2/c1-7-8(2)11(13)15-6-9(7)16-12-10(17(18)19)4-3-5-14-12/h3-6H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyBRAGOGRNTOCZMP-UHFFFAOYSA-N
XLogP2.33
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.33
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'}

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
CID 40677036
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-3-nitropyridin-2-amine
CID 133397179
N-(2-bromo-4-iodophenyl)-3-nitropyridin-2-amine
CID 70103878
3-methyl-4-nitropyridin-2-amine
CID 19758038
N-tert-butyl-3-nitropyridin-2-amine;ethene
CID 144870417
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine
CID 68572505
(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 13388386

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine?
The IUPAC name of 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine (CID 146173085) is 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine.
What is the SMILES notation for 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine?
The canonical SMILES for 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine is Cc1c(Nc2ncccc2[N+](=O)[O-])cnc(N)c1C.
What is the InChIKey of 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine?
The InChIKey is BRAGOGRNTOCZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-8(2)11(13)15-6-9(7)16-12-10(17(18)19)4-3-5-14-12/h3-6H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine?
3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine has a molecular weight of 259.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine is sourced from PubChem (CID 146173085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).