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

C15H22N4O — CID 119641820

IUPACN-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H22N4O/c1-3-15(16,4-2)10-19-13(20)8-11-9-18-14-12(11)6-5-7-17-14/h5-7,9H,3-4,8,10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVQJJLZXGWCUEIW-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.74
Rot. Bonds6

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

N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 119641820) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID119641820
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCC(N)(CC)CNC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H22N4O/c1-3-15(16,4-2)10-19-13(20)8-11-9-18-14-12(11)6-5-7-17-14/h5-7,9H,3-4,8,10,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVQJJLZXGWCUEIW-UHFFFAOYSA-N
XLogP1.74
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144486
N-(1-hydroxy-3-methylpentan-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 110002147
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
3-methoxy-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]propanoic acid
CID 120531915
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 119641344
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120947063
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 53144477
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119654771
N-(1-aminohexan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide;hydrochloride
CID 119666826

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 119641820) is N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CCC(N)(CC)CNC(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is VQJJLZXGWCUEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-15(16,4-2)10-19-13(20)8-11-9-18-14-12(11)6-5-7-17-14/h5-7,9H,3-4,8,10,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 119641820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).