5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde

C24H25Cl2N3O2 — CID 143338187

IUPAC5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde
SMILESCOc1ccc(CN(C)Cc2c(C=O)nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H25Cl2N3O2/c1-15-20(11-27)24(19-9-6-17(25)10-22(19)26)21(23(14-30)28-15)13-29(2)12-16-4-7-18(31-3)8-5-16/h4-10,14H,11-13,27H2,1-3H3
InChIKeyREAJTGPCPXYAAT-UHFFFAOYSA-N
MW458.39 g/mol
LogP5.28
Rot. Bonds8

About 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde

5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde (PubChem CID 143338187) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde
PubChem CID143338187
Molecular FormulaC24H25Cl2N3O2
Molecular Weight458.39 g/mol
Exact Mass457.13
IUPAC Name5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde
SMILESCOc1ccc(CN(C)Cc2c(C=O)nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H25Cl2N3O2/c1-15-20(11-27)24(19-9-6-17(25)10-22(19)26)21(23(14-30)28-15)13-29(2)12-16-4-7-18(31-3)8-5-16/h4-10,14H,11-13,27H2,1-3H3
InChIKeyREAJTGPCPXYAAT-UHFFFAOYSA-N
XLogP5.28
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036
2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine
CID 23291615
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
CID 15950456
3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(3-methoxypropyl)-2-methylpyrrolo[3,4-b]pyridin-5-ol
CID 136612152
3-(aminomethyl)-4-(2,4-dichlorophenyl)-5-hydroxy-2-methyl-6H-1,6-naphthyridin-7-one
CID 136503853
6-(aminomethyl)-5-(4-chloro-2-methylphenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 143255802
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
CID 141399848
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
tert-butyl 3-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-5-hydroxy-2-methylpyrrolo[3,4-b]pyridin-6-yl]propanoate
CID 136500256
3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-[[(E)-ethylidene(methyl)-λ4-sulfanyl]-methylamino]ethyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 163876330
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde (CID 143338187) is 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde is COc1ccc(CN(C)Cc2c(C=O)nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde?
The InChIKey is REAJTGPCPXYAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c1-15-20(11-27)24(19-9-6-17(25)10-22(19)26)21(23(14-30)28-15)13-29(2)12-16-4-7-18(31-3)8-5-16/h4-10,14H,11-13,27H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde?
5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde has a molecular weight of 458.39 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(2,4-dichlorophenyl)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 143338187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).