N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide

C18H20N4O — CID 166358700

IUPACN-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C18H20N4O/c1-13(23)22(2)12-15-5-3-4-6-17(15)21-11-14-7-9-19-18-16(14)8-10-20-18/h3-10,21H,11-12H2,1-2H3,(H,19,20)
InChIKeyHXPGRYSVJRPCDT-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.15
Rot. Bonds5

About N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide

N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide (PubChem CID 166358700) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide
PubChem CID166358700
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1ccnc2[nH]ccc12
InChIInChI=1S/C18H20N4O/c1-13(23)22(2)12-15-5-3-4-6-17(15)21-11-14-7-9-19-18-16(14)8-10-20-18/h3-10,21H,11-12H2,1-2H3,(H,19,20)
InChIKeyHXPGRYSVJRPCDT-UHFFFAOYSA-N
XLogP3.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]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

N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
CID 66409381
N-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 62345794
1-(2-methylphenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]urea
CID 50996739
N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 59268074
N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692092
3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692106
N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166358840
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3-(2-pyrrol-1-ylphenyl)propan-2-one
CID 174641291
2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 167824179
[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 166237298

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide (CID 166358700) is N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide is CC(=O)N(C)Cc1ccccc1NCc1ccnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide?
The InChIKey is HXPGRYSVJRPCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(23)22(2)12-15-5-3-4-6-17(15)21-11-14-7-9-19-18-16(14)8-10-20-18/h3-10,21H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide?
N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 166358700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).