6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine

C22H25ClN4O3 — CID 155034444

IUPAC6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(Cl)cc(N)c2N)cc1
InChIInChI=1S/C22H25ClN4O3/c1-28-16-7-4-14(5-8-16)12-27(22-21(25)18(24)11-20(23)26-22)13-15-6-9-17(29-2)10-19(15)30-3/h4-11H,12-13,25H2,1-3H3,(H2,24,26)
InChIKeyILCMFRHUPMUATH-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.13
Rot. Bonds8

About 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine

6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine (PubChem CID 155034444) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine.

Molecular Properties

Compound Name6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine
PubChem CID155034444
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(Cl)cc(N)c2N)cc1
InChIInChI=1S/C22H25ClN4O3/c1-28-16-7-4-14(5-8-16)12-27(22-21(25)18(24)11-20(23)26-22)13-15-6-9-17(29-2)10-19(15)30-3/h4-11H,12-13,25H2,1-3H3,(H2,24,26)
InChIKeyILCMFRHUPMUATH-UHFFFAOYSA-N
XLogP4.13
TPSA95.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
1-[[3-amino-2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-methyl-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 172603943
4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-chloro-2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166822287
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
2-[bis[(4-methoxyphenyl)methyl]amino]-3-chloroquinoline-7-thiol
CID 138688085
2-(4-aminophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119682696
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2-[bis[(2,4-dimethoxyphenyl)methyl]amino]-4-bromo-1,3-thiazole-5-carbaldehyde
CID 146284828
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 39423483
4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine
CID 146236231

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine?
The IUPAC name of 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine (CID 155034444) is 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine.
What is the SMILES notation for 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine?
The canonical SMILES for 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine is COc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(Cl)cc(N)c2N)cc1.
What is the InChIKey of 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine?
The InChIKey is ILCMFRHUPMUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-28-16-7-4-14(5-8-16)12-27(22-21(25)18(24)11-20(23)26-22)13-15-6-9-17(29-2)10-19(15)30-3/h4-11H,12-13,25H2,1-3H3,(H2,24,26).
What are the key properties of 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine?
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine has a molecular weight of 428.92 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine is sourced from PubChem (CID 155034444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).