ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate

C16H17N3O2 — CID 44527067

IUPACethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(/C=C/c2cc(C)cnc2N)c1
InChIInChI=1S/C16H17N3O2/c1-3-21-16(20)14-7-12(9-18-10-14)4-5-13-6-11(2)8-19-15(13)17/h4-10H,3H2,1-2H3,(H2,17,19)/b5-4+
InChIKeyFWLOCTIGQHEYHT-SNAWJCMRSA-N
MW283.33 g/mol
LogP2.71
Rot. Bonds4

About ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate

ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate (PubChem CID 44527067) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate
PubChem CID44527067
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Nameethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(/C=C/c2cc(C)cnc2N)c1
InChIInChI=1S/C16H17N3O2/c1-3-21-16(20)14-7-12(9-18-10-14)4-5-13-6-11(2)8-19-15(13)17/h4-10H,3H2,1-2H3,(H2,17,19)/b5-4+
InChIKeyFWLOCTIGQHEYHT-SNAWJCMRSA-N
XLogP2.71
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate (CID 44527067) is ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate is CCOC(=O)c1cncc(/C=C/c2cc(C)cnc2N)c1.
What is the InChIKey of ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate?
The InChIKey is FWLOCTIGQHEYHT-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-21-16(20)14-7-12(9-18-10-14)4-5-13-6-11(2)8-19-15(13)17/h4-10H,3H2,1-2H3,(H2,17,19)/b5-4+.
What are the key properties of ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate?
ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate is sourced from PubChem (CID 44527067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).