N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

C16H21N3O3 — CID 110125283

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCO[C@@H]1CC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)[C@H]1O
InChIInChI=1S/C16H21N3O3/c1-10-4-7-14-17-11(9-19(14)8-10)16(21)18(2)12-5-6-13(22-3)15(12)20/h4,7-9,12-13,15,20H,5-6H2,1-3H3/t12-,13-,15-/m1/s1
InChIKeyLTLWMTBHEFYTNX-UMVBOHGHSA-N
MW303.36 g/mol
LogP1.25
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 110125283) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID110125283
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCO[C@@H]1CC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)[C@H]1O
InChIInChI=1S/C16H21N3O3/c1-10-4-7-14-17-11(9-19(14)8-10)16(21)18(2)12-5-6-13(22-3)15(12)20/h4,7-9,12-13,15,20H,5-6H2,1-3H3/t12-,13-,15-/m1/s1
InChIKeyLTLWMTBHEFYTNX-UMVBOHGHSA-N
XLogP1.25
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide (CID 110125283) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide is CO[C@@H]1CC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LTLWMTBHEFYTNX-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-4-7-14-17-11(9-19(14)8-10)16(21)18(2)12-5-6-13(22-3)15(12)20/h4,7-9,12-13,15,20H,5-6H2,1-3H3/t12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 110125283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).