(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate

C13H13N3O2 — CID 174416527

IUPAC(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate
SMILESNC(COC(=O)c1ccccn1)c1ccncc1
InChIInChI=1S/C13H13N3O2/c14-11(10-4-7-15-8-5-10)9-18-13(17)12-3-1-2-6-16-12/h1-8,11H,9,14H2
InChIKeyRWECOAFTFRGQGU-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.33
Rot. Bonds4

About (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate

(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate (PubChem CID 174416527) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate
PubChem CID174416527
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate
SMILESNC(COC(=O)c1ccccn1)c1ccncc1
InChIInChI=1S/C13H13N3O2/c14-11(10-4-7-15-8-5-10)9-18-13(17)12-3-1-2-6-16-12/h1-8,11H,9,14H2
InChIKeyRWECOAFTFRGQGU-UHFFFAOYSA-N
XLogP1.33
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride
CID 174448756
ethyl pyridine-2-carboxylate
CID 17307
2-methylpentyl pyridine-2-carboxylate
CID 150671770
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094
1-aminoethyl pyridine-2-carboxylate
CID 141264689
[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 7866588
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
(4-phenylphenyl)methyl pyridine-2-carboxylate
CID 7477623
1-aminobutyl pyridine-2-carboxylate
CID 174954272
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
morpholin-4-ylmethyl pyridine-2-carboxylate
CID 67423863

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate?
The IUPAC name of (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate (CID 174416527) is (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate.
What is the SMILES notation for (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate?
The canonical SMILES for (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate is NC(COC(=O)c1ccccn1)c1ccncc1.
What is the InChIKey of (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate?
The InChIKey is RWECOAFTFRGQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-11(10-4-7-15-8-5-10)9-18-13(17)12-3-1-2-6-16-12/h1-8,11H,9,14H2.
What are the key properties of (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate?
(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate has a molecular weight of 243.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate is sourced from PubChem (CID 174416527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).