ethyl N-(dipyridin-2-ylmethyl)carbamate

C14H15N3O2 — CID 162768521

IUPACethyl N-(dipyridin-2-ylmethyl)carbamate
SMILESCCOC(=O)NC(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H15N3O2/c1-2-19-14(18)17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10,13H,2H2,1H3,(H,17,18)
InChIKeyZJEQLLNREAOQHN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.31
Rot. Bonds4

About ethyl N-(dipyridin-2-ylmethyl)carbamate

ethyl N-(dipyridin-2-ylmethyl)carbamate (PubChem CID 162768521) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl N-(dipyridin-2-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(dipyridin-2-ylmethyl)carbamate
PubChem CID162768521
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nameethyl N-(dipyridin-2-ylmethyl)carbamate
SMILESCCOC(=O)NC(c1ccccn1)c1ccccn1
InChIInChI=1S/C14H15N3O2/c1-2-19-14(18)17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10,13H,2H2,1H3,(H,17,18)
InChIKeyZJEQLLNREAOQHN-UHFFFAOYSA-N
XLogP2.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
N-(dipyridin-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 102416830
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
CID 15812390
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate
CID 66207149
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521

Frequently Asked Questions

What is the IUPAC name of ethyl N-(dipyridin-2-ylmethyl)carbamate?
The IUPAC name of ethyl N-(dipyridin-2-ylmethyl)carbamate (CID 162768521) is ethyl N-(dipyridin-2-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(dipyridin-2-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(dipyridin-2-ylmethyl)carbamate is CCOC(=O)NC(c1ccccn1)c1ccccn1.
What is the InChIKey of ethyl N-(dipyridin-2-ylmethyl)carbamate?
The InChIKey is ZJEQLLNREAOQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-19-14(18)17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10,13H,2H2,1H3,(H,17,18).
What are the key properties of ethyl N-(dipyridin-2-ylmethyl)carbamate?
ethyl N-(dipyridin-2-ylmethyl)carbamate has a molecular weight of 257.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(dipyridin-2-ylmethyl)carbamate is sourced from PubChem (CID 162768521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).