N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide

C17H22BrN3O2 — CID 46940238

IUPACN-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cn(CCO)c2nccc(Br)c12
InChIInChI=1S/C17H22BrN3O2/c18-13-6-7-19-17-16(13)14(11-21(17)8-9-22)20-15(23)10-12-4-2-1-3-5-12/h6-7,11-12,22H,1-5,8-10H2,(H,20,23)
InChIKeyKNOJYDFTQTURPA-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.70
Rot. Bonds5

About N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide

N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide (PubChem CID 46940238) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide
PubChem CID46940238
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC NameN-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cn(CCO)c2nccc(Br)c12
InChIInChI=1S/C17H22BrN3O2/c18-13-6-7-19-17-16(13)14(11-21(17)8-9-22)20-15(23)10-12-4-2-1-3-5-12/h6-7,11-12,22H,1-5,8-10H2,(H,20,23)
InChIKeyKNOJYDFTQTURPA-UHFFFAOYSA-N
XLogP3.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-1-[(2S)-2-hydroxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-2-cycloheptylacetamide
CID 124564972
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N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
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N-[4-bromo-1-(1-hydroxy-3-nitrosopropan-2-yl)indol-3-yl]-2-cycloheptylacetamide
CID 89021847
CID 89283785
CID 89283785
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide
CID 71077819
2-cyclohexyl-N-(1-methylpyrazol-3-yl)acetamide
CID 51228914

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide (CID 46940238) is N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1cn(CCO)c2nccc(Br)c12.
What is the InChIKey of N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide?
The InChIKey is KNOJYDFTQTURPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c18-13-6-7-19-17-16(13)14(11-21(17)8-9-22)20-15(23)10-12-4-2-1-3-5-12/h6-7,11-12,22H,1-5,8-10H2,(H,20,23).
What are the key properties of N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide?
N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide has a molecular weight of 380.29 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 46940238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).