N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide

C12H15N3O3 — CID 118544472

IUPACN-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide
SMILESCOc1[nH]c2cc(C)[nH]c2c(=O)c1CNC(C)=O
InChIInChI=1S/C12H15N3O3/c1-6-4-9-10(14-6)11(17)8(5-13-7(2)16)12(15-9)18-3/h4,14H,5H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyHKDWTICSAFZHKT-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.81
Rot. Bonds3

About N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide

N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide (PubChem CID 118544472) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide
PubChem CID118544472
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide
SMILESCOc1[nH]c2cc(C)[nH]c2c(=O)c1CNC(C)=O
InChIInChI=1S/C12H15N3O3/c1-6-4-9-10(14-6)11(17)8(5-13-7(2)16)12(15-9)18-3/h4,14H,5H2,1-3H3,(H,13,16)(H,15,17)
InChIKeyHKDWTICSAFZHKT-UHFFFAOYSA-N
XLogP0.81
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(6-cyano-2-methoxy-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544441
N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
CID 118544393
ethane;N-[(2-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]acetamide
CID 144654853
N-[(5-methoxy-7-oxo-1,4-dihydropyrazolo[4,5-b]pyridin-6-yl)methyl]-2,2-dimethylpropanamide
CID 130207474
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 139395079
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322
3-acetyl-2-methoxy-6-methyl-1H-pyridin-4-one
CID 167052179
N-[[6-methyl-2-(1,3-oxazol-2-yl)-4-oxo-1H-pyridin-3-yl]methyl]acetamide
CID 118544386
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide?
The IUPAC name of N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide (CID 118544472) is N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide?
The canonical SMILES for N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide is COc1[nH]c2cc(C)[nH]c2c(=O)c1CNC(C)=O.
What is the InChIKey of N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide?
The InChIKey is HKDWTICSAFZHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-6-4-9-10(14-6)11(17)8(5-13-7(2)16)12(15-9)18-3/h4,14H,5H2,1-3H3,(H,13,16)(H,15,17).
What are the key properties of N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide?
N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-methyl-7-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)methyl]acetamide is sourced from PubChem (CID 118544472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).