(2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide

C12H17N3O3 — CID 95137019

IUPAC(2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
SMILESO=C(N[C@H]1CCc2nccn2C1)[C@@H]1COCCO1
InChIInChI=1S/C12H17N3O3/c16-12(10-8-17-5-6-18-10)14-9-1-2-11-13-3-4-15(11)7-9/h3-4,9-10H,1-2,5-8H2,(H,14,16)/t9-,10-/m0/s1
InChIKeyHNWKPEJHBOMEBY-UWVGGRQHSA-N
MW251.29 g/mol
LogP-0.27
Rot. Bonds2

About (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide

(2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide (PubChem CID 95137019) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
PubChem CID95137019
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
SMILESO=C(N[C@H]1CCc2nccn2C1)[C@@H]1COCCO1
InChIInChI=1S/C12H17N3O3/c16-12(10-8-17-5-6-18-10)14-9-1-2-11-13-3-4-15(11)7-9/h3-4,9-10H,1-2,5-8H2,(H,14,16)/t9-,10-/m0/s1
InChIKeyHNWKPEJHBOMEBY-UWVGGRQHSA-N
XLogP-0.27
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide (CID 95137019) is (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide is O=C(N[C@H]1CCc2nccn2C1)[C@@H]1COCCO1.
What is the InChIKey of (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide?
The InChIKey is HNWKPEJHBOMEBY-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-12(10-8-17-5-6-18-10)14-9-1-2-11-13-3-4-15(11)7-9/h3-4,9-10H,1-2,5-8H2,(H,14,16)/t9-,10-/m0/s1.
What are the key properties of (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide?
(2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 95137019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).