2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate

C46H53N10O4- — CID 160612270

IUPAC2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.O=C([O-])CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H29N5O2.C22H25N5O2/c1-2-31-24(30)20-29(19-23-11-5-8-14-27-23)16-15-28(17-21-9-3-6-12-25-21)18-22-10-4-7-13-26-22;28-22(29)18-27(17-21-9-3-6-12-25-21)14-13-26(15-19-7-1-4-10-23-19)16-20-8-2-5-11-24-20/h3-14H,2,15-20H2,1H3;1-12H,13-18H2,(H,28,29)/p-1
InChIKeyRFQHSRQHPZYEAQ-UHFFFAOYSA-M
MW810.00 g/mol
LogP4.07
Rot. Bonds23

About 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate

2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate (PubChem CID 160612270) has the molecular formula C46H53N10O4- and a molecular weight of 810.00 g/mol. Its IUPAC name is 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Name2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate
PubChem CID160612270
Molecular FormulaC46H53N10O4-
Molecular Weight810.00 g/mol
Exact Mass809.43
IUPAC Name2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.O=C([O-])CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C24H29N5O2.C22H25N5O2/c1-2-31-24(30)20-29(19-23-11-5-8-14-27-23)16-15-28(17-21-9-3-6-12-25-21)18-22-10-4-7-13-26-22;28-22(29)18-27(17-21-9-3-6-12-25-21)14-13-26(15-19-7-1-4-10-23-19)16-20-8-2-5-11-24-20/h3-14H,2,15-20H2,1H3;1-12H,13-18H2,(H,28,29)/p-1
InChIKeyRFQHSRQHPZYEAQ-UHFFFAOYSA-M
XLogP4.07
TPSA156.73 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.00
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate with MolForge

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Related Compounds

ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
ethyl 2-[[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-(pyridin-2-ylmethyl)amino]acetate
CID 142301368
ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3855455
ethyl 4-[ethyl(pyridin-2-ylmethyl)amino]-3-hydroxybutanoate
CID 82769148
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
ethyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3288655
methyl 3-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]propaneperoxoate
CID 139496437
methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate
CID 3827562
undecyl 8-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(8-oxo-8-undecoxyoctyl)amino]octanoate
CID 177302508
ethyl 2-[4-[[(Z)-2-amino-3-[bis(pyridin-2-ylmethyl)amino]prop-1-enyl]amino]phenyl]acetate
CID 134274909
methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
CID 138976785
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate?
The IUPAC name of 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate (CID 160612270) is 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate.
What is the SMILES notation for 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate?
The canonical SMILES for 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate is CCOC(=O)CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.O=C([O-])CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate?
The InChIKey is RFQHSRQHPZYEAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H29N5O2.C22H25N5O2/c1-2-31-24(30)20-29(19-23-11-5-8-14-27-23)16-15-28(17-21-9-3-6-12-25-21)18-22-10-4-7-13-26-22;28-22(29)18-27(17-21-9-3-6-12-25-21)14-13-26(15-19-7-1-4-10-23-19)16-20-8-2-5-11-24-20/h3-14H,2,15-20H2,1H3;1-12H,13-18H2,(H,28,29)/p-1.
What are the key properties of 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate?
2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate has a molecular weight of 810.00 g/mol, XLogP of 4.07, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate is sourced from PubChem (CID 160612270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).