N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine

C14H15N3O3 — CID 115597004

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine
SMILESCOc1ccc(C(C)Nc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-10(11-5-7-12(20-2)8-6-11)16-13-4-3-9-15-14(13)17(18)19/h3-10,16H,1-2H3
InChIKeyPFYOXSYSNOUBMM-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.17
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine

N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine (PubChem CID 115597004) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine
PubChem CID115597004
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine
SMILESCOc1ccc(C(C)Nc2cccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-10(11-5-7-12(20-2)8-6-11)16-13-4-3-9-15-14(13)17(18)19/h3-10,16H,1-2H3
InChIKeyPFYOXSYSNOUBMM-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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-[1-(4-methoxyphenyl)ethyl]-2-methylpyridin-3-amine
CID 79041915
N-[1-(4-methoxyphenyl)ethyl]quinolin-8-amine
CID 43191660
N-[1-(4-methoxyphenyl)ethyl]-3-methyl-2-nitroaniline
CID 102605128
N-[1-(4-methoxyphenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374245
3-N-[1-(4-methoxyphenyl)ethyl]-2-nitrobenzene-1,3-diamine
CID 80833387
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-nitropyridin-3-amine
CID 103946656
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631
6-chloro-N-[1-(4-methoxyphenyl)ethyl]-5-nitropyrimidin-4-amine
CID 66196435
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
2-N-[1-(4-methoxyphenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80832173

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine (CID 115597004) is N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine is COc1ccc(C(C)Nc2cccnc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine?
The InChIKey is PFYOXSYSNOUBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(11-5-7-12(20-2)8-6-11)16-13-4-3-9-15-14(13)17(18)19/h3-10,16H,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine?
N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine has a molecular weight of 273.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine is sourced from PubChem (CID 115597004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).