N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide

C14H19N3O2 — CID 53144367

IUPACN-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCOCCCNC(=O)Cc1cn(C)c2ncccc12
InChIInChI=1S/C14H19N3O2/c1-17-10-11(12-5-3-6-16-14(12)17)9-13(18)15-7-4-8-19-2/h3,5-6,10H,4,7-9H2,1-2H3,(H,15,18)
InChIKeyOICJNRGYXFQLRV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.27
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 53144367) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID53144367
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCOCCCNC(=O)Cc1cn(C)c2ncccc12
InChIInChI=1S/C14H19N3O2/c1-17-10-11(12-5-3-6-16-14(12)17)9-13(18)15-7-4-8-19-2/h3,5-6,10H,4,7-9H2,1-2H3,(H,15,18)
InChIKeyOICJNRGYXFQLRV-UHFFFAOYSA-N
XLogP1.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53144407
2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66412424
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 53144349
N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144389
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052
N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014071
N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
CID 82653823
2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-propan-2-ylacetamide
CID 53144495
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide
CID 146108760
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 53144367) is N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide is COCCCNC(=O)Cc1cn(C)c2ncccc12.
What is the InChIKey of N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is OICJNRGYXFQLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-10-11(12-5-3-6-16-14(12)17)9-13(18)15-7-4-8-19-2/h3,5-6,10H,4,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 53144367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).