ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate

C15H21N3O3 — CID 62005920

IUPACethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate
SMILESCCNC(=O)c1cc(N(CC(=O)OCC)C2CC2)ccn1
InChIInChI=1S/C15H21N3O3/c1-3-16-15(20)13-9-12(7-8-17-13)18(11-5-6-11)10-14(19)21-4-2/h7-9,11H,3-6,10H2,1-2H3,(H,16,20)
InChIKeyCRGOLCGYEHLEOU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.36
Rot. Bonds7

About ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate

ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate (PubChem CID 62005920) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate
PubChem CID62005920
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate
SMILESCCNC(=O)c1cc(N(CC(=O)OCC)C2CC2)ccn1
InChIInChI=1S/C15H21N3O3/c1-3-16-15(20)13-9-12(7-8-17-13)18(11-5-6-11)10-14(19)21-4-2/h7-9,11H,3-6,10H2,1-2H3,(H,16,20)
InChIKeyCRGOLCGYEHLEOU-UHFFFAOYSA-N
XLogP1.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate (CID 62005920) is ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate is CCNC(=O)c1cc(N(CC(=O)OCC)C2CC2)ccn1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate?
The InChIKey is CRGOLCGYEHLEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-16-15(20)13-9-12(7-8-17-13)18(11-5-6-11)10-14(19)21-4-2/h7-9,11H,3-6,10H2,1-2H3,(H,16,20).
What are the key properties of ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate is sourced from PubChem (CID 62005920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).