ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate

C15H16N2O2 — CID 174469020

IUPACethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate
SMILESCCOC(=O)c1ccccc1Cc1ccc(N)nc1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)13-6-4-3-5-12(13)9-11-7-8-14(16)17-10-11/h3-8,10H,2,9H2,1H3,(H2,16,17)
InChIKeyOWMRLXYYKMPCJK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.43
Rot. Bonds4

About ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate

ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate (PubChem CID 174469020) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate
PubChem CID174469020
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate
SMILESCCOC(=O)c1ccccc1Cc1ccc(N)nc1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)13-6-4-3-5-12(13)9-11-7-8-14(16)17-10-11/h3-8,10H,2,9H2,1H3,(H2,16,17)
InChIKeyOWMRLXYYKMPCJK-UHFFFAOYSA-N
XLogP2.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;ethyl 2-ethylbenzoate
CID 162337312
ethyl 2-(phenoxymethyl)benzoate
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2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid
CID 79740576
carbonic acid;ethyl 2-propylbenzoate
CID 174721035
(6-methyl-3-pyridinyl)methyl 2-(methoxymethyl)benzoate
CID 75386087
ethyl 2-(2-bromoprop-2-enyl)benzoate
CID 24721796
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
2-ethylbenzoic acid;ethyl 2-methylbenzoate
CID 175978347
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 2-(2-aminoacetyl)benzoate
CID 18694028
ethyl 2-amino-3-propylbenzoate
CID 60835647
ethyl 2-amino-5-ethylpyridine-3-carboxylate
CID 155887465

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate?
The IUPAC name of ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate (CID 174469020) is ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate.
What is the SMILES notation for ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate?
The canonical SMILES for ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate is CCOC(=O)c1ccccc1Cc1ccc(N)nc1.
What is the InChIKey of ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate?
The InChIKey is OWMRLXYYKMPCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-15(18)13-6-4-3-5-12(13)9-11-7-8-14(16)17-10-11/h3-8,10H,2,9H2,1H3,(H2,16,17).
What are the key properties of ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate?
ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate has a molecular weight of 256.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-amino-3-pyridinyl)methyl]benzoate is sourced from PubChem (CID 174469020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).