N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine

C12H12N4O3 — CID 62490095

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
SMILESCOc1ccc(CNc2cc([N+](=O)[O-])ccn2)cn1
InChIInChI=1S/C12H12N4O3/c1-19-12-3-2-9(8-15-12)7-14-11-6-10(16(17)18)4-5-13-11/h2-6,8H,7H2,1H3,(H,13,14)
InChIKeyIZLCIWMHSMGEBN-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.01
Rot. Bonds5

About N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine

N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine (PubChem CID 62490095) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
PubChem CID62490095
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
SMILESCOc1ccc(CNc2cc([N+](=O)[O-])ccn2)cn1
InChIInChI=1S/C12H12N4O3/c1-19-12-3-2-9(8-15-12)7-14-11-6-10(16(17)18)4-5-13-11/h2-6,8H,7H2,1H3,(H,13,14)
InChIKeyIZLCIWMHSMGEBN-UHFFFAOYSA-N
XLogP2.01
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine (CID 62490095) is N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine is COc1ccc(CNc2cc([N+](=O)[O-])ccn2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine?
The InChIKey is IZLCIWMHSMGEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-12-3-2-9(8-15-12)7-14-11-6-10(16(17)18)4-5-13-11/h2-6,8H,7H2,1H3,(H,13,14).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine has a molecular weight of 260.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 62490095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).