N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine

C14H14I2N2O2 — CID 167328439

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
SMILESCOc1ccc(CNc2cc(I)c(I)cn2)c(OC)c1
InChIInChI=1S/C14H14I2N2O2/c1-19-10-4-3-9(13(5-10)20-2)7-17-14-6-11(15)12(16)8-18-14/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyWAIDDKHFQBIGAP-UHFFFAOYSA-N
MW496.09 g/mol
LogP3.92
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine (PubChem CID 167328439) has the molecular formula C14H14I2N2O2 and a molecular weight of 496.09 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
PubChem CID167328439
Molecular FormulaC14H14I2N2O2
Molecular Weight496.09 g/mol
Exact Mass495.91
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
SMILESCOc1ccc(CNc2cc(I)c(I)cn2)c(OC)c1
InChIInChI=1S/C14H14I2N2O2/c1-19-10-4-3-9(13(5-10)20-2)7-17-14-6-11(15)12(16)8-18-14/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyWAIDDKHFQBIGAP-UHFFFAOYSA-N
XLogP3.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.09
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
ethyl 4-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate
CID 154640277
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
CID 57476570
6-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 171705218
3-(1,1-difluoroethyl)-6-[(2,4-dimethoxyphenyl)methylamino]pyrazine-2-carbaldehyde
CID 178073128
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine (CID 167328439) is N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine is COc1ccc(CNc2cc(I)c(I)cn2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine?
The InChIKey is WAIDDKHFQBIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14I2N2O2/c1-19-10-4-3-9(13(5-10)20-2)7-17-14-6-11(15)12(16)8-18-14/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine has a molecular weight of 496.09 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine is sourced from PubChem (CID 167328439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).