N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C15H21N3O2 — CID 110002147

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H21N3O2/c1-3-15(2,6-8-19)18-13(20)9-11-10-17-14-12(11)5-4-7-16-14/h4-5,7,10,19H,3,6,8-9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyDFTNHZQKAOZMEB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds6

About N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 110002147) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID110002147
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H21N3O2/c1-3-15(2,6-8-19)18-13(20)9-11-10-17-14-12(11)5-4-7-16-14/h4-5,7,10,19H,3,6,8-9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyDFTNHZQKAOZMEB-UHFFFAOYSA-N
XLogP1.77
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119641820
3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid
CID 120531915
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 126812704
N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide
CID 103946162
3-hydroxy-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-2-carboxamide
CID 99697185
2-(5-chloroquinolin-8-yl)oxy-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002595
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119654771
4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
CID 120535022
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 110002147) is N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CCC(C)(CCO)NC(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is DFTNHZQKAOZMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-15(2,6-8-19)18-13(20)9-11-10-17-14-12(11)5-4-7-16-14/h4-5,7,10,19H,3,6,8-9H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 110002147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).