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

C13H17N3O3 — CID 154838415

IUPACN-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCN(C[C@H](O)CO)C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3O3/c1-16(7-10(18)8-17)12(19)5-9-6-15-13-11(9)3-2-4-14-13/h2-4,6,10,17-18H,5,7-8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyOYOPVQZOOYKZLN-JTQLQIEISA-N
MW263.30 g/mol
LogP-0.08
Rot. Bonds5

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

N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 154838415) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID154838415
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCN(C[C@H](O)CO)C(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C13H17N3O3/c1-16(7-10(18)8-17)12(19)5-9-6-15-13-11(9)3-2-4-14-13/h2-4,6,10,17-18H,5,7-8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyOYOPVQZOOYKZLN-JTQLQIEISA-N
XLogP-0.08
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide with MolForge

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Related Compounds

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-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119654771
1-[2-[methyl-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 120525595
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-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 96997676
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 135394624
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]pentanoic acid
CID 120535022

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 154838415) is N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CN(C[C@H](O)CO)C(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is OYOPVQZOOYKZLN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(7-10(18)8-17)12(19)5-9-6-15-13-11(9)3-2-4-14-13/h2-4,6,10,17-18H,5,7-8H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 263.30 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropyl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 154838415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).