6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine

C12H15N5O3 — CID 154749946

IUPAC6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C12H15N5O3/c1-15(7-9-6-13-16(2)8-9)12-10(17(18)19)4-5-11(14-12)20-3/h4-6,8H,7H2,1-3H3
InChIKeyJPKNKYUFTJVLTH-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.37
Rot. Bonds5

About 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine

6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine (PubChem CID 154749946) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
PubChem CID154749946
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C12H15N5O3/c1-15(7-9-6-13-16(2)8-9)12-10(17(18)19)4-5-11(14-12)20-3/h4-6,8H,7H2,1-3H3
InChIKeyJPKNKYUFTJVLTH-UHFFFAOYSA-N
XLogP1.37
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine (CID 154749946) is 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(N(C)Cc2cnn(C)c2)n1.
What is the InChIKey of 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine?
The InChIKey is JPKNKYUFTJVLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-15(7-9-6-13-16(2)8-9)12-10(17(18)19)4-5-11(14-12)20-3/h4-6,8H,7H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine?
6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine has a molecular weight of 277.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 154749946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).