5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde

C27H32I2N6O3 — CID 159317278

IUPAC5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde
SMILESC.COc1ccc(C=O)cn1.COc1ccc(CNc2ccc(I)c(C)n2)cn1.Cc1nc(N)ccc1I
InChIInChI=1S/C13H14IN3O.C7H7NO2.C6H7IN2.CH4/c1-9-11(14)4-5-12(17-9)15-7-10-3-6-13(18-2)16-8-10;1-10-7-3-2-6(5-9)4-8-7;1-4-5(7)2-3-6(8)9-4;/h3-6,8H,7H2,1-2H3,(H,15,17);2-5H,1H3;2-3H,1H3,(H2,8,9);1H4
InChIKeyLDHKXJMAGNCDOY-UHFFFAOYSA-N
MW742.40 g/mol
LogP6.13
Rot. Bonds6

About 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde

5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde (PubChem CID 159317278) has the molecular formula C27H32I2N6O3 and a molecular weight of 742.40 g/mol. Its IUPAC name is 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde
PubChem CID159317278
Molecular FormulaC27H32I2N6O3
Molecular Weight742.40 g/mol
Exact Mass742.06
IUPAC Name5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde
SMILESC.COc1ccc(C=O)cn1.COc1ccc(CNc2ccc(I)c(C)n2)cn1.Cc1nc(N)ccc1I
InChIInChI=1S/C13H14IN3O.C7H7NO2.C6H7IN2.CH4/c1-9-11(14)4-5-12(17-9)15-7-10-3-6-13(18-2)16-8-10;1-10-7-3-2-6(5-9)4-8-7;1-4-5(7)2-3-6(8)9-4;/h3-6,8H,7H2,1-2H3,(H,15,17);2-5H,1H3;2-3H,1H3,(H2,8,9);1H4
InChIKeyLDHKXJMAGNCDOY-UHFFFAOYSA-N
XLogP6.13
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.40
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
6-methoxypyridine-3-carbaldehyde
CID 3364576
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936508
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 133331625
4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136975577
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine
CID 133370213

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde?
The IUPAC name of 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde (CID 159317278) is 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde is C.COc1ccc(C=O)cn1.COc1ccc(CNc2ccc(I)c(C)n2)cn1.Cc1nc(N)ccc1I.
What is the InChIKey of 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde?
The InChIKey is LDHKXJMAGNCDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O.C7H7NO2.C6H7IN2.CH4/c1-9-11(14)4-5-12(17-9)15-7-10-3-6-13(18-2)16-8-10;1-10-7-3-2-6(5-9)4-8-7;1-4-5(7)2-3-6(8)9-4;/h3-6,8H,7H2,1-2H3,(H,15,17);2-5H,1H3;2-3H,1H3,(H2,8,9);1H4.
What are the key properties of 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde?
5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde has a molecular weight of 742.40 g/mol, XLogP of 6.13, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridin-2-amine;5-iodo-6-methylpyridin-2-amine;methane;6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 159317278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).