1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol

C22H34N4O3 — CID 102583756

IUPAC1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol
SMILESCOc1c(C)cnc(CN(CCNC(C)O)Cc2ncc(C)c(OC)c2C)c1C
InChIInChI=1S/C22H34N4O3/c1-14-10-24-19(16(3)21(14)28-6)12-26(9-8-23-18(5)27)13-20-17(4)22(29-7)15(2)11-25-20/h10-11,18,23,27H,8-9,12-13H2,1-7H3
InChIKeyIXUAXJACCJCWSK-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.66
Rot. Bonds10

About 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol

1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol (PubChem CID 102583756) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol.

Molecular Properties

Compound Name1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol
PubChem CID102583756
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol
SMILESCOc1c(C)cnc(CN(CCNC(C)O)Cc2ncc(C)c(OC)c2C)c1C
InChIInChI=1S/C22H34N4O3/c1-14-10-24-19(16(3)21(14)28-6)12-26(9-8-23-18(5)27)13-20-17(4)22(29-7)15(2)11-25-20/h10-11,18,23,27H,8-9,12-13H2,1-7H3
InChIKeyIXUAXJACCJCWSK-UHFFFAOYSA-N
XLogP2.66
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065383
2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol
CID 134708358
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28568814
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4-methylpentan-1-ol
CID 61246593
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54991612
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-propan-2-ylamino]butanoic acid
CID 60833618
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007839
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917
3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225867
N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide
CID 76928126
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine
CID 79598235

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol?
The IUPAC name of 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol (CID 102583756) is 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol.
What is the SMILES notation for 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol?
The canonical SMILES for 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol is COc1c(C)cnc(CN(CCNC(C)O)Cc2ncc(C)c(OC)c2C)c1C.
What is the InChIKey of 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol?
The InChIKey is IXUAXJACCJCWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-14-10-24-19(16(3)21(14)28-6)12-26(9-8-23-18(5)27)13-20-17(4)22(29-7)15(2)11-25-20/h10-11,18,23,27H,8-9,12-13H2,1-7H3.
What are the key properties of 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol?
1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol has a molecular weight of 402.54 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol is sourced from PubChem (CID 102583756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).