N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine

C14H16N4O3 — CID 122154444

IUPACN-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine
SMILESCOc1cc(CCNc2ccc([N+](=O)[O-])c(C)n2)ccn1
InChIInChI=1S/C14H16N4O3/c1-10-12(18(19)20)3-4-13(17-10)15-7-5-11-6-8-16-14(9-11)21-2/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)
InChIKeyNRCAKUZAUUTLNB-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine

N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine (PubChem CID 122154444) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine
PubChem CID122154444
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine
SMILESCOc1cc(CCNc2ccc([N+](=O)[O-])c(C)n2)ccn1
InChIInChI=1S/C14H16N4O3/c1-10-12(18(19)20)3-4-13(17-10)15-7-5-11-6-8-16-14(9-11)21-2/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17)
InChIKeyNRCAKUZAUUTLNB-UHFFFAOYSA-N
XLogP2.36
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.36
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-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine (CID 122154444) is N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine is COc1cc(CCNc2ccc([N+](=O)[O-])c(C)n2)ccn1.
What is the InChIKey of N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine?
The InChIKey is NRCAKUZAUUTLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-12(18(19)20)3-4-13(17-10)15-7-5-11-6-8-16-14(9-11)21-2/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine?
N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-pyridinyl)ethyl]-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 122154444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).