N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide

C14H19N3O3 — CID 103891005

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESCCC(CO)(CO)NC(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H19N3O3/c1-2-14(9-18,10-19)16-13(20)7-11-8-17-6-4-3-5-12(17)15-11/h3-6,8,18-19H,2,7,9-10H2,1H3,(H,16,20)
InChIKeyZVFFKJGLWPAMAM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.13
Rot. Bonds6

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide (PubChem CID 103891005) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
PubChem CID103891005
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESCCC(CO)(CO)NC(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H19N3O3/c1-2-14(9-18,10-19)16-13(20)7-11-8-17-6-4-3-5-12(17)15-11/h3-6,8,18-19H,2,7,9-10H2,1H3,(H,16,20)
InChIKeyZVFFKJGLWPAMAM-UHFFFAOYSA-N
XLogP0.13
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103843309
N-(1-amino-2-methylpropan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119521483
N-(2-amino-2-ethylbutyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119639792
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]propanoic acid
CID 43355303
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43469348
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103941094
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]pentanoic acid
CID 43630447
2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65220306
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide (CID 103891005) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide is CCC(CO)(CO)NC(=O)Cc1cn2ccccc2n1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The InChIKey is ZVFFKJGLWPAMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-14(9-18,10-19)16-13(20)7-11-8-17-6-4-3-5-12(17)15-11/h3-6,8,18-19H,2,7,9-10H2,1H3,(H,16,20).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide has a molecular weight of 277.32 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide is sourced from PubChem (CID 103891005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).