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

C17H23N3O3 — CID 110125681

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)[C@H]1O
InChIInChI=1S/C17H23N3O3/c1-11-7-8-15-18-12(10-20(15)9-11)17(22)19(2)13-5-4-6-14(23-3)16(13)21/h7-10,13-14,16,21H,4-6H2,1-3H3/t13-,14-,16-/m1/s1
InChIKeyKGIUIWOOYOESIF-IIAWOOMASA-N
MW317.39 g/mol
LogP1.64
Rot. Bonds3

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

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 110125681) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID110125681
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)[C@H]1O
InChIInChI=1S/C17H23N3O3/c1-11-7-8-15-18-12(10-20(15)9-11)17(22)19(2)13-5-4-6-14(23-3)16(13)21/h7-10,13-14,16,21H,4-6H2,1-3H3/t13-,14-,16-/m1/s1
InChIKeyKGIUIWOOYOESIF-IIAWOOMASA-N
XLogP1.64
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.64
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-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide (CID 110125681) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide is CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cn3cc(C)ccc3n2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KGIUIWOOYOESIF-IIAWOOMASA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-7-8-15-18-12(10-20(15)9-11)17(22)19(2)13-5-4-6-14(23-3)16(13)21/h7-10,13-14,16,21H,4-6H2,1-3H3/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.64, 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-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 110125681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).