methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate

C16H19N3O2 — CID 11055244

IUPACmethyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)8-11-19(12-14-6-2-4-9-17-14)13-15-7-3-5-10-18-15/h2-7,9-10H,8,11-13H2,1H3
InChIKeyNUUVJFMRFWNUSL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds7

About methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate

methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate (PubChem CID 11055244) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate
PubChem CID11055244
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)8-11-19(12-14-6-2-4-9-17-14)13-15-7-3-5-10-18-15/h2-7,9-10H,8,11-13H2,1H3
InChIKeyNUUVJFMRFWNUSL-UHFFFAOYSA-N
XLogP2.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate (CID 11055244) is methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate is COC(=O)CCN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate?
The InChIKey is NUUVJFMRFWNUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-16(20)8-11-19(12-14-6-2-4-9-17-14)13-15-7-3-5-10-18-15/h2-7,9-10H,8,11-13H2,1H3.
What are the key properties of methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate?
methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate has a molecular weight of 285.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis(pyridin-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 11055244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).