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

C15H22N4O — CID 119654771

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCN(CC(C)(C)CN)C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H22N4O/c1-15(2,9-16)10-19(3)13(20)7-11-8-18-14-12(11)5-4-6-17-14/h4-6,8H,7,9-10,16H2,1-3H3,(H,17,18)
InChIKeyCFJXAKJALBLNBL-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.55
Rot. Bonds5

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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 119654771) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID119654771
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCN(CC(C)(C)CN)C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H22N4O/c1-15(2,9-16)10-19(3)13(20)7-11-8-18-14-12(11)5-4-6-17-14/h4-6,8H,7,9-10,16H2,1-3H3,(H,17,18)
InChIKeyCFJXAKJALBLNBL-UHFFFAOYSA-N
XLogP1.55
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154838415
N-(3-amino-4-methylpentyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119659375
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
1-[2-[methyl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 120525595
N-(2-amino-2-ethylbutyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119641820
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154843804
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
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 96997676
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 119654771) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CN(CC(C)(C)CN)C(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is CFJXAKJALBLNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,9-16)10-19(3)13(20)7-11-8-18-14-12(11)5-4-6-17-14/h4-6,8H,7,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 119654771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).