6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine

C14H15N3O4 — CID 79881497

IUPAC6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCc2ccccc2OC)n1
InChIInChI=1S/C14H15N3O4/c1-20-12-6-4-3-5-10(12)9-15-14-11(17(18)19)7-8-13(16-14)21-2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyKMQDZPVXMKVERN-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.62
Rot. Bonds6

About 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine

6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine (PubChem CID 79881497) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
PubChem CID79881497
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCc2ccccc2OC)n1
InChIInChI=1S/C14H15N3O4/c1-20-12-6-4-3-5-10(12)9-15-14-11(17(18)19)7-8-13(16-14)21-2/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyKMQDZPVXMKVERN-UHFFFAOYSA-N
XLogP2.62
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.62
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

N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 82736234
6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 115321427
6-methoxy-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 79883257
N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 106900082
1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485526
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
2-(2-chlorophenyl)-N-(6-methoxy-3-nitro-2-pyridinyl)acetamide
CID 141373266
N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 79883840
N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 70453186
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 63591480
6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine
CID 110184363

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine (CID 79881497) is 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(NCc2ccccc2OC)n1.
What is the InChIKey of 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The InChIKey is KMQDZPVXMKVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-12-6-4-3-5-10(12)9-15-14-11(17(18)19)7-8-13(16-14)21-2/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine has a molecular weight of 289.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 79881497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).