N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine

C14H15N3O3 — CID 80718457

IUPACN-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
SMILESCOc1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-10-13(17(18)19)7-8-14(16-10)15-9-11-3-5-12(20-2)6-4-11/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyHCRYPPDIBJBHJR-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.92
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine

N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine (PubChem CID 80718457) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
PubChem CID80718457
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
SMILESCOc1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-10-13(17(18)19)7-8-14(16-10)15-9-11-3-5-12(20-2)6-4-11/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyHCRYPPDIBJBHJR-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

N-[(4-aminophenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 116650504
6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 80718550
2-N-(4-methoxyphenyl)-3-nitro-6-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 67995503
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 84588442
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
6-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80718363
6-methyl-5-nitro-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 136561939
N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 122154444
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 103934170
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80719127

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine (CID 80718457) is N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine is COc1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine?
The InChIKey is HCRYPPDIBJBHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-13(17(18)19)7-8-14(16-10)15-9-11-3-5-12(20-2)6-4-11/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-6-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-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80718457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).