N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine

C14H15N3O3 — CID 9112758

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
SMILESCOc1ccc(CN(C)c2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-16(10-11-5-7-12(20-2)8-6-11)14-13(17(18)19)4-3-9-15-14/h3-9H,10H2,1-2H3
InChIKeyXEKVJZDAJFBFKU-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.63
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine

N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine (PubChem CID 9112758) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
PubChem CID9112758
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
SMILESCOc1ccc(CN(C)c2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-16(10-11-5-7-12(20-2)8-6-11)14-13(17(18)19)4-3-9-15-14/h3-9H,10H2,1-2H3
InChIKeyXEKVJZDAJFBFKU-UHFFFAOYSA-N
XLogP2.63
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
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

[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 31921413
N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62294438
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
CID 26448919
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733
2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
N'-(3-methoxyphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)propane-1,3-diamine
CID 57000020
N-benzyl-3-nitro-N-propylpyridin-2-amine
CID 133383842
1-[(4-methoxyphenyl)methyl]-1-methyl-3-(2-nitrophenyl)urea
CID 17408467
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 26449184

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine (CID 9112758) is N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine is COc1ccc(CN(C)c2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine?
The InChIKey is XEKVJZDAJFBFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16(10-11-5-7-12(20-2)8-6-11)14-13(17(18)19)4-3-9-15-14/h3-9H,10H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 9112758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).