N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide

C16H23N3O2 — CID 103941094

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESCC(C)(C)C(CCO)NC(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13(7-9-20)18-15(21)10-12-11-19-8-5-4-6-14(19)17-12/h4-6,8,11,13,20H,7,9-10H2,1-3H3,(H,18,21)
InChIKeyAQOZPHZTPDDAND-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.79
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide (PubChem CID 103941094) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
PubChem CID103941094
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESCC(C)(C)C(CCO)NC(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13(7-9-20)18-15(21)10-12-11-19-8-5-4-6-14(19)17-12/h4-6,8,11,13,20H,7,9-10H2,1-3H3,(H,18,21)
InChIKeyAQOZPHZTPDDAND-UHFFFAOYSA-N
XLogP1.79
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 43355303
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990
N-(1-hydroxybutan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 43417878
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]pentanoic acid
CID 43630447
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43469348
3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43353673
N-(1-amino-2-methylpropan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119521483
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103843309
2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65220306
N-(1-aminohexan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119664981
3-imidazo[1,2-a]pyridin-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
CID 74247075
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103891005

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide (CID 103941094) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide is CC(C)(C)C(CCO)NC(=O)Cc1cn2ccccc2n1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The InChIKey is AQOZPHZTPDDAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)13(7-9-20)18-15(21)10-12-11-19-8-5-4-6-14(19)17-12/h4-6,8,11,13,20H,7,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide has a molecular weight of 289.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide is sourced from PubChem (CID 103941094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).