N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine

C14H15N3O3 — CID 79173429

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCOc1ccccc1CNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O3/c1-10-7-14(16-9-12(10)17(18)19)15-8-11-5-3-4-6-13(11)20-2/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyYSBPQOKCHOFTIA-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.92
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine

N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 79173429) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
PubChem CID79173429
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
SMILESCOc1ccccc1CNc1cc(C)c([N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O3/c1-10-7-14(16-9-12(10)17(18)19)15-8-11-5-3-4-6-13(11)20-2/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyYSBPQOKCHOFTIA-UHFFFAOYSA-N
XLogP2.92
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.92
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

4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 82739931
N-[[2-(aminomethyl)phenyl]methyl]-5-methyl-4-nitropyridin-2-amine
CID 83271433
N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79174054
N-[(4-ethoxy-3-methylphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339278
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 103802148
N-(2-methoxy-2-methylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 115669177
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridin-2-amine
CID 79176589
N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83267602
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitroaniline
CID 43425474

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine (CID 79173429) is N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine is COc1ccccc1CNc1cc(C)c([N+](=O)[O-])cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is YSBPQOKCHOFTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-7-14(16-9-12(10)17(18)19)15-8-11-5-3-4-6-13(11)20-2/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine?
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 79173429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).