N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide

C16H18N4O2S — CID 111442014

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
SMILESCC(O)(CNC(=O)CCc1nc2ncccc2[nH]1)c1cccs1
InChIInChI=1S/C16H18N4O2S/c1-16(22,12-5-3-9-23-12)10-18-14(21)7-6-13-19-11-4-2-8-17-15(11)20-13/h2-5,8-9,22H,6-7,10H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyGUTGVRVBJQDFIQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.98
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide (PubChem CID 111442014) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
PubChem CID111442014
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
SMILESCC(O)(CNC(=O)CCc1nc2ncccc2[nH]1)c1cccs1
InChIInChI=1S/C16H18N4O2S/c1-16(22,12-5-3-9-23-12)10-18-14(21)7-6-13-19-11-4-2-8-17-15(11)20-13/h2-5,8-9,22H,6-7,10H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyGUTGVRVBJQDFIQ-UHFFFAOYSA-N
XLogP1.98
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
CID 111479268
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 111720004
3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
CID 111442061
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
N-(2-hydroxy-2-thiophen-2-ylpropyl)isoquinoline-1-carboxamide
CID 111441944
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
2-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)-1H-imidazole-5-carboxamide
CID 111750728
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 111441956
2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide (CID 111442014) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide is CC(O)(CNC(=O)CCc1nc2ncccc2[nH]1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide?
The InChIKey is GUTGVRVBJQDFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-16(22,12-5-3-9-23-12)10-18-14(21)7-6-13-19-11-4-2-8-17-15(11)20-13/h2-5,8-9,22H,6-7,10H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 111442014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).