6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine

C12H12N4O3 — CID 115321427

IUPAC6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCc2ccncc2)n1
InChIInChI=1S/C12H12N4O3/c1-19-11-3-2-10(16(17)18)12(15-11)14-8-9-4-6-13-7-5-9/h2-7H,8H2,1H3,(H,14,15)
InChIKeyBEBPHZWOLGDNBC-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.01
Rot. Bonds5

About 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine

6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine (PubChem CID 115321427) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
PubChem CID115321427
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCc2ccncc2)n1
InChIInChI=1S/C12H12N4O3/c1-19-11-3-2-10(16(17)18)12(15-11)14-8-9-4-6-13-7-5-9/h2-7H,8H2,1H3,(H,14,15)
InChIKeyBEBPHZWOLGDNBC-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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Related Compounds

N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 106900082
6-methoxy-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 79883257
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 82736234
6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 115321436
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 79883840
2-N-(4-methoxyphenyl)-3-nitro-6-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 67995503
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine (CID 115321427) is 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine is COc1ccc([N+](=O)[O-])c(NCc2ccncc2)n1.
What is the InChIKey of 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine?
The InChIKey is BEBPHZWOLGDNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-11-3-2-10(16(17)18)12(15-11)14-8-9-4-6-13-7-5-9/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine?
6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-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 6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 115321427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).