methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate

C15H25N3O2 — CID 103189691

IUPACmethyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate
SMILESCCN(Cc1ccc(C(=O)OC)cn1)C(C)CN(C)C
InChIInChI=1S/C15H25N3O2/c1-6-18(12(2)10-17(3)4)11-14-8-7-13(9-16-14)15(19)20-5/h7-9,12H,6,10-11H2,1-5H3
InChIKeyIIXXIIJJFBUYGB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.64
Rot. Bonds7

About methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate

methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate (PubChem CID 103189691) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate
PubChem CID103189691
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate
SMILESCCN(Cc1ccc(C(=O)OC)cn1)C(C)CN(C)C
InChIInChI=1S/C15H25N3O2/c1-6-18(12(2)10-17(3)4)11-14-8-7-13(9-16-14)15(19)20-5/h7-9,12H,6,10-11H2,1-5H3
InChIKeyIIXXIIJJFBUYGB-UHFFFAOYSA-N
XLogP1.64
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(5-bromo-2-pyridinyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190702
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate
CID 107200733
methyl 6-(3-methylbutan-2-ylsulfanylmethyl)pyridine-3-carboxylate
CID 107746223
methyl 6-(3-methylbutylsulfonylmethyl)pyridine-3-carboxylate
CID 107746781
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[[(2-hydroxy-3-methylbutyl)amino]methyl]pyridine-3-carboxylate
CID 113492195
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
methyl 6-(3-aminopropyl)pyridine-3-carboxylate
CID 57039015
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate (CID 103189691) is methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate is CCN(Cc1ccc(C(=O)OC)cn1)C(C)CN(C)C.
What is the InChIKey of methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate?
The InChIKey is IIXXIIJJFBUYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-18(12(2)10-17(3)4)11-14-8-7-13(9-16-14)15(19)20-5/h7-9,12H,6,10-11H2,1-5H3.
What are the key properties of methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate?
methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 103189691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).