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

C13H13N3O3 — CID 7446717

IUPACN-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
SMILESCOc1ccccc1CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O3/c1-19-12-7-3-2-5-10(12)9-15-13-11(16(17)18)6-4-8-14-13/h2-8H,9H2,1H3,(H,14,15)
InChIKeyBYVIZFOEZYUYPW-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.61
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine (PubChem CID 7446717) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
PubChem CID7446717
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
SMILESCOc1ccccc1CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O3/c1-19-12-7-3-2-5-10(12)9-15-13-11(16(17)18)6-4-8-14-13/h2-8H,9H2,1H3,(H,14,15)
InChIKeyBYVIZFOEZYUYPW-UHFFFAOYSA-N
XLogP2.61
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.61
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

N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 3455584
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
1-(2-Methoxyphenyl)-4-(5-nitropyridin-2-yl)piperazine
CID 2848878
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
N-(4-methoxyphenyl)-5-nitropyridin-2-amine
CID 2848906
N-(4-Methoxybenzyl)pyridin-2-amine
CID 97452
5-bromo-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 975708
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
2,3-Dimethoxybenzaldehyde 1-(3-nitro-2-pyridyl)hydrazone
CID 9580624
1-(4-Methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochloride
CID 196882
N2-(3-methoxybenzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine
CID 10046543
PKC-theta inhibitor
CID 10253430

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine (CID 7446717) is N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine is COc1ccccc1CNc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The InChIKey is BYVIZFOEZYUYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-12-7-3-2-5-10(12)9-15-13-11(16(17)18)6-4-8-14-13/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine has a molecular weight of 259.27 g/mol, XLogP of 2.61, 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]-3-nitropyridin-2-amine is sourced from PubChem (CID 7446717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).