3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide

C16H24N4O3 — CID 136539579

IUPAC3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)Cc2cccc(OCC)n2)C1
InChIInChI=1S/C16H24N4O3/c1-3-17-16(22)20-9-8-13(11-20)18-14(21)10-12-6-5-7-15(19-12)23-4-2/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyJXFJXITWICRIKS-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.94
Rot. Bonds6

About 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide

3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 136539579) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
PubChem CID136539579
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)Cc2cccc(OCC)n2)C1
InChIInChI=1S/C16H24N4O3/c1-3-17-16(22)20-9-8-13(11-20)18-14(21)10-12-6-5-7-15(19-12)23-4-2/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,22)(H,18,21)
InChIKeyJXFJXITWICRIKS-UHFFFAOYSA-N
XLogP0.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-aminoacetyl)amino]-N-ethylpyrrolidine-1-carboxamide
CID 119344677
N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-2-(6-ethoxy-2-pyridinyl)acetamide
CID 136585294
2-(aminomethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820666
3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide
CID 119820641
N-[(3R)-1-(ethylcarbamoyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97099923
4-[[(2R)-2-amino-2-phenylacetyl]amino]-N-ethylpiperidine-1-carboxamide
CID 56867282
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 119820661
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
CID 97028910
ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120638873

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide (CID 136539579) is 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)Cc2cccc(OCC)n2)C1.
What is the InChIKey of 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is JXFJXITWICRIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-17-16(22)20-9-8-13(11-20)18-14(21)10-12-6-5-7-15(19-12)23-4-2/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,22)(H,18,21).
What are the key properties of 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide?
3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 136539579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).