(2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide

C13H21N3O2 — CID 95765907

IUPAC(2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
SMILESCCO[C@@H](C)C(=O)N[C@H]1CCc2nc(C)cn2C1
InChIInChI=1S/C13H21N3O2/c1-4-18-10(3)13(17)15-11-5-6-12-14-9(2)7-16(12)8-11/h7,10-11H,4-6,8H2,1-3H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyAHFBVGANHMCTMZ-QWRGUYRKSA-N
MW251.33 g/mol
LogP1.05
Rot. Bonds4

About (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide

(2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide (PubChem CID 95765907) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
PubChem CID95765907
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
SMILESCCO[C@@H](C)C(=O)N[C@H]1CCc2nc(C)cn2C1
InChIInChI=1S/C13H21N3O2/c1-4-18-10(3)13(17)15-11-5-6-12-14-9(2)7-16(12)8-11/h7,10-11H,4-6,8H2,1-3H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyAHFBVGANHMCTMZ-QWRGUYRKSA-N
XLogP1.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
The IUPAC name of (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide (CID 95765907) is (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide is CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(C)cn2C1.
What is the InChIKey of (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
The InChIKey is AHFBVGANHMCTMZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-10(3)13(17)15-11-5-6-12-14-9(2)7-16(12)8-11/h7,10-11H,4-6,8H2,1-3H3,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide?
(2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide is sourced from PubChem (CID 95765907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).