N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C13H19N3O3 — CID 154757694

IUPACN-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnc2n1CCCC2)[C@@H]1COC[C@H]1O
InChIInChI=1S/C13H19N3O3/c1-15(10-7-19-8-11(10)17)13(18)9-6-14-12-4-2-3-5-16(9)12/h6,10-11,17H,2-5,7-8H2,1H3/t10-,11-/m1/s1
InChIKeySFWDGFPAOZNKHX-GHMZBOCLSA-N
MW265.31 g/mol
LogP0.05
Rot. Bonds2

About N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 154757694) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID154757694
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnc2n1CCCC2)[C@@H]1COC[C@H]1O
InChIInChI=1S/C13H19N3O3/c1-15(10-7-19-8-11(10)17)13(18)9-6-14-12-4-2-3-5-16(9)12/h6,10-11,17H,2-5,7-8H2,1H3/t10-,11-/m1/s1
InChIKeySFWDGFPAOZNKHX-GHMZBOCLSA-N
XLogP0.05
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 154757694) is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CN(C(=O)c1cnc2n1CCCC2)[C@@H]1COC[C@H]1O.
What is the InChIKey of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SFWDGFPAOZNKHX-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(10-7-19-8-11(10)17)13(18)9-6-14-12-4-2-3-5-16(9)12/h6,10-11,17H,2-5,7-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 154757694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).