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

C17H16ClN3O — CID 53144382

IUPACN-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCn1cc(CC(=O)NCc2cccc(Cl)c2)c2cccnc21
InChIInChI=1S/C17H16ClN3O/c1-21-11-13(15-6-3-7-19-17(15)21)9-16(22)20-10-12-4-2-5-14(18)8-12/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyBFLHGEOFJGYSCR-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.09
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 53144382) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID53144382
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCn1cc(CC(=O)NCc2cccc(Cl)c2)c2cccnc21
InChIInChI=1S/C17H16ClN3O/c1-21-11-13(15-6-3-7-19-17(15)21)9-16(22)20-10-12-4-2-5-14(18)8-12/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyBFLHGEOFJGYSCR-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chlorophenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 53144382) is N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide is Cn1cc(CC(=O)NCc2cccc(Cl)c2)c2cccnc21.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is BFLHGEOFJGYSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-21-11-13(15-6-3-7-19-17(15)21)9-16(22)20-10-12-4-2-5-14(18)8-12/h2-8,11H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 313.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 53144382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).