ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate

C13H19N3O3 — CID 61480191

IUPACethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
SMILESCCNC(=O)C(C)Nc1ncccc1C(=O)OCC
InChIInChI=1S/C13H19N3O3/c1-4-14-12(17)9(3)16-11-10(7-6-8-15-11)13(18)19-5-2/h6-9H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyBAGORUGSXODPFU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds6

About ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate

ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate (PubChem CID 61480191) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
PubChem CID61480191
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
SMILESCCNC(=O)C(C)Nc1ncccc1C(=O)OCC
InChIInChI=1S/C13H19N3O3/c1-4-14-12(17)9(3)16-11-10(7-6-8-15-11)13(18)19-5-2/h6-9H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyBAGORUGSXODPFU-UHFFFAOYSA-N
XLogP1.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate (CID 61480191) is ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate is CCNC(=O)C(C)Nc1ncccc1C(=O)OCC.
What is the InChIKey of ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate?
The InChIKey is BAGORUGSXODPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-14-12(17)9(3)16-11-10(7-6-8-15-11)13(18)19-5-2/h6-9H,4-5H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate?
ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 61480191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).