2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C15H19N3O2 — CID 95095586

IUPAC2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCn1cc(CC(=O)NC[C@@H]2CCCO2)c2cccnc21
InChIInChI=1S/C15H19N3O2/c1-18-10-11(13-5-2-6-16-15(13)18)8-14(19)17-9-12-4-3-7-20-12/h2,5-6,10,12H,3-4,7-9H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyNASGCUAPURVMRV-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.41
Rot. Bonds4

About 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 95095586) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID95095586
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCn1cc(CC(=O)NC[C@@H]2CCCO2)c2cccnc21
InChIInChI=1S/C15H19N3O2/c1-18-10-11(13-5-2-6-16-15(13)18)8-14(19)17-9-12-4-3-7-20-12/h2,5-6,10,12H,3-4,7-9H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyNASGCUAPURVMRV-LBPRGKRZSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144389
2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110768911
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95099415
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110849461
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 43985196
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 95095586) is 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cn1cc(CC(=O)NC[C@@H]2CCCO2)c2cccnc21.
What is the InChIKey of 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is NASGCUAPURVMRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-10-11(13-5-2-6-16-15(13)18)8-14(19)17-9-12-4-3-7-20-12/h2,5-6,10,12H,3-4,7-9H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95095586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).