4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide

C21H25N3O2 — CID 70785195

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
SMILESCc1cccn2c(CNC(=O)c3ccc(CCC(C)(C)O)cc3)cnc12
InChIInChI=1S/C21H25N3O2/c1-15-5-4-12-24-18(13-22-19(15)24)14-23-20(25)17-8-6-16(7-9-17)10-11-21(2,3)26/h4-9,12-13,26H,10-11,14H2,1-3H3,(H,23,25)
InChIKeyUCTGKZAZAGFSSB-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.28
Rot. Bonds6

About 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide (PubChem CID 70785195) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
PubChem CID70785195
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
SMILESCc1cccn2c(CNC(=O)c3ccc(CCC(C)(C)O)cc3)cnc12
InChIInChI=1S/C21H25N3O2/c1-15-5-4-12-24-18(13-22-19(15)24)14-23-20(25)17-8-6-16(7-9-17)10-11-21(2,3)26/h4-9,12-13,26H,10-11,14H2,1-3H3,(H,23,25)
InChIKeyUCTGKZAZAGFSSB-UHFFFAOYSA-N
XLogP3.28
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 91782592
3-cyclopropyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176506052
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N'-(4-methylphenyl)propanediamide
CID 56738129
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 122565100
4-methoxy-N,N-dimethyl-3-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]benzamide
CID 75385143
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 118772293
(3S)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 125442546
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 122568013
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 115651142
8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 10379052

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide (CID 70785195) is 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide is Cc1cccn2c(CNC(=O)c3ccc(CCC(C)(C)O)cc3)cnc12.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide?
The InChIKey is UCTGKZAZAGFSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-5-4-12-24-18(13-22-19(15)24)14-23-20(25)17-8-6-16(7-9-17)10-11-21(2,3)26/h4-9,12-13,26H,10-11,14H2,1-3H3,(H,23,25).
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 70785195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).