N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine

C14H15N3O4 — CID 40677036

IUPACN-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
SMILESCOc1cc(C)c(Nc2ncccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C14H15N3O4/c1-9-7-12(20-2)13(21-3)8-10(9)16-14-11(17(18)19)5-4-6-15-14/h4-8H,1-3H3,(H,15,16)
InChIKeyGFFWGADEMPDIAY-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.06
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine

N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine (PubChem CID 40677036) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
PubChem CID40677036
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
SMILESCOc1cc(C)c(Nc2ncccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C14H15N3O4/c1-9-7-12(20-2)13(21-3)8-10(9)16-14-11(17(18)19)5-4-6-15-14/h4-8H,1-3H3,(H,15,16)
InChIKeyGFFWGADEMPDIAY-UHFFFAOYSA-N
XLogP3.06
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.06
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'}

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Related Compounds

2-(4,5-dimethoxy-2-methylanilino)pyridine-3-carbonitrile
CID 18194831
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
CID 47059552
3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 146173085
N-methyl-3-nitropyridin-2-amine
CID 556349
methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
N-(2-bromo-4-iodophenyl)-3-nitropyridin-2-amine
CID 70103878
3-methoxy-2-nitropyridine
CID 556063
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126101162
2-methoxy-6-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135458786

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine (CID 40677036) is N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine is COc1cc(C)c(Nc2ncccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine?
The InChIKey is GFFWGADEMPDIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-7-12(20-2)13(21-3)8-10(9)16-14-11(17(18)19)5-4-6-15-14/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine?
N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine has a molecular weight of 289.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 40677036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).