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

C14H15N3O4 — CID 178077999

IUPAC2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine
SMILESCOc1ccc(CNc2cc(OC)ncc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O4/c1-20-11-5-3-10(4-6-11)8-15-12-7-14(21-2)16-9-13(12)17(18)19/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyDBKRBIUSODSRBA-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.62
Rot. Bonds6

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

2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine (PubChem CID 178077999) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine
PubChem CID178077999
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine
SMILESCOc1ccc(CNc2cc(OC)ncc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O4/c1-20-11-5-3-10(4-6-11)8-15-12-7-14(21-2)16-9-13(12)17(18)19/h3-7,9H,8H2,1-2H3,(H,15,16)
InChIKeyDBKRBIUSODSRBA-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

3-[(4-methoxyphenyl)methylamino]-4-nitrobenzonitrile
CID 104713419
N-[(4-methoxyphenyl)methyl]-5-nitro-1H-pyrazol-4-amine
CID 114989818
2-hydroxy-1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone
CID 70645631
N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline
CID 47279209
N-[(4-methoxyphenyl)methyl]-6-nitrothieno[3,2-b]pyridin-7-amine
CID 138112469
N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457
3-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline
CID 80530893
6-methoxy-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 79883257
6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 19874084
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 43222843
4-N-[(4-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23494657
4-[(4-methoxyphenyl)methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 9282070

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine?
The IUPAC name of 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine (CID 178077999) is 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine.
What is the SMILES notation for 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine?
The canonical SMILES for 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine is COc1ccc(CNc2cc(OC)ncc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine?
The InChIKey is DBKRBIUSODSRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-11-5-3-10(4-6-11)8-15-12-7-14(21-2)16-9-13(12)17(18)19/h3-7,9H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine?
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-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 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitropyridin-4-amine is sourced from PubChem (CID 178077999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).