methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate

C19H26N4O3 — CID 10970388

IUPACmethyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccn1)Cc1cc(N(C)C)cc(CO)n1
InChIInChI=1S/C19H26N4O3/c1-22(2)18-10-16(21-17(11-18)14-24)13-23(9-7-19(25)26-3)12-15-6-4-5-8-20-15/h4-6,8,10-11,24H,7,9,12-14H2,1-3H3
InChIKeyGTCLKKDDOAMNRP-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.60
Rot. Bonds9

About methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate

methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate (PubChem CID 10970388) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate
PubChem CID10970388
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Namemethyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccn1)Cc1cc(N(C)C)cc(CO)n1
InChIInChI=1S/C19H26N4O3/c1-22(2)18-10-16(21-17(11-18)14-24)13-23(9-7-19(25)26-3)12-15-6-4-5-8-20-15/h4-6,8,10-11,24H,7,9,12-14H2,1-3H3
InChIKeyGTCLKKDDOAMNRP-UHFFFAOYSA-N
XLogP1.60
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate with MolForge

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Related Compounds

3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoic acid
CID 10969990
3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]-N-octadecylpropanamide
CID 11114644
methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
CID 138976785
methyl 3-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]propaneperoxoate
CID 139496437
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
3-[cyanomethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328509
methyl 3-[ethyl(3-pyridin-2-ylpropanoyl)amino]propanoate
CID 78981122
ethane;pyridin-2-ylmethanol
CID 91461493
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82327071
3-[bis(pyridin-2-ylmethyl)amino]-N-octadecylpropanamide
CID 10885861

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate (CID 10970388) is methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate is COC(=O)CCN(Cc1ccccn1)Cc1cc(N(C)C)cc(CO)n1.
What is the InChIKey of methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate?
The InChIKey is GTCLKKDDOAMNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22(2)18-10-16(21-17(11-18)14-24)13-23(9-7-19(25)26-3)12-15-6-4-5-8-20-15/h4-6,8,10-11,24H,7,9,12-14H2,1-3H3.
What are the key properties of methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate?
methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate has a molecular weight of 358.44 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 10970388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).