2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate

C16H17N3O3 — CID 3052984

IUPAC2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
SMILESCCN(CCOC(=O)c1cccnc1)C(=O)c1cccnc1
InChIInChI=1S/C16H17N3O3/c1-2-19(15(20)13-5-3-7-17-11-13)9-10-22-16(21)14-6-4-8-18-12-14/h3-8,11-12H,2,9-10H2,1H3
InChIKeyBCJCEHTYNRNJQW-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.80
Rot. Bonds6

About 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate

2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate (PubChem CID 3052984) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
PubChem CID3052984
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
SMILESCCN(CCOC(=O)c1cccnc1)C(=O)c1cccnc1
InChIInChI=1S/C16H17N3O3/c1-2-19(15(20)13-5-3-7-17-11-13)9-10-22-16(21)14-6-4-8-18-12-14/h3-8,11-12H,2,9-10H2,1H3
InChIKeyBCJCEHTYNRNJQW-UHFFFAOYSA-N
XLogP1.80
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
The IUPAC name of 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate (CID 3052984) is 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate.
What is the SMILES notation for 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
The canonical SMILES for 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate is CCN(CCOC(=O)c1cccnc1)C(=O)c1cccnc1.
What is the InChIKey of 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
The InChIKey is BCJCEHTYNRNJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-19(15(20)13-5-3-7-17-11-13)9-10-22-16(21)14-6-4-8-18-12-14/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate?
2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate is sourced from PubChem (CID 3052984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).