N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide

C21H27N3O2 — CID 166212302

IUPACN-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(COC2CCCCC2)c1)C1CCCc2nccn21
InChIInChI=1S/C21H27N3O2/c25-21(19-10-5-11-20-22-12-13-24(19)20)23-17-7-4-6-16(14-17)15-26-18-8-2-1-3-9-18/h4,6-7,12-14,18-19H,1-3,5,8-11,15H2,(H,23,25)
InChIKeyHNRFNZRIGYDHFC-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.25
Rot. Bonds5

About N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide

N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 166212302) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide
PubChem CID166212302
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(COC2CCCCC2)c1)C1CCCc2nccn21
InChIInChI=1S/C21H27N3O2/c25-21(19-10-5-11-20-22-12-13-24(19)20)23-17-7-4-6-16(14-17)15-26-18-8-2-1-3-9-18/h4,6-7,12-14,18-19H,1-3,5,8-11,15H2,(H,23,25)
InChIKeyHNRFNZRIGYDHFC-UHFFFAOYSA-N
XLogP4.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86849988
N-[3-(cyclohexyloxymethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120928288
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
CID 97435359
N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
1-[3-(cyclohexyloxymethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754772
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119753882
1-[3-(cyclohexyloxymethyl)phenyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111636902
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
2-cyclopentyloxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 47059184

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide (CID 166212302) is N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide is O=C(Nc1cccc(COC2CCCCC2)c1)C1CCCc2nccn21.
What is the InChIKey of N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is HNRFNZRIGYDHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-21(19-10-5-11-20-22-12-13-24(19)20)23-17-7-4-6-16(14-17)15-26-18-8-2-1-3-9-18/h4,6-7,12-14,18-19H,1-3,5,8-11,15H2,(H,23,25).
What are the key properties of N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide?
N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 166212302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).