N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide

C16H15ClN4O — CID 58896997

IUPACN-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Nc2c(Cl)cnc3[nH]ccc23)c1
InChIInChI=1S/C16H15ClN4O/c1-2-14(22)20-10-4-3-5-11(8-10)21-15-12-6-7-18-16(12)19-9-13(15)17/h3-9H,2H2,1H3,(H,20,22)(H2,18,19,21)
InChIKeyMBNDYXWMSFEXRA-UHFFFAOYSA-N
MW314.78 g/mol
LogP4.31
Rot. Bonds4

About N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide

N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide (PubChem CID 58896997) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide
PubChem CID58896997
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC NameN-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Nc2c(Cl)cnc3[nH]ccc23)c1
InChIInChI=1S/C16H15ClN4O/c1-2-14(22)20-10-4-3-5-11(8-10)21-15-12-6-7-18-16(12)19-9-13(15)17/h3-9H,2H2,1H3,(H,20,22)(H2,18,19,21)
InChIKeyMBNDYXWMSFEXRA-UHFFFAOYSA-N
XLogP4.31
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide 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

1-[(3R)-3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 58896960
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
N-[3-[5-chloro-2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide
CID 154987256
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047
N-[4-(3,4-dichloroanilino)phenyl]propanamide
CID 112989591
2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 141470778
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide
CID 57298787

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide?
The IUPAC name of N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide (CID 58896997) is N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide?
The canonical SMILES for N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide is CCC(=O)Nc1cccc(Nc2c(Cl)cnc3[nH]ccc23)c1.
What is the InChIKey of N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide?
The InChIKey is MBNDYXWMSFEXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-2-14(22)20-10-4-3-5-11(8-10)21-15-12-6-7-18-16(12)19-9-13(15)17/h3-9H,2H2,1H3,(H,20,22)(H2,18,19,21).
What are the key properties of N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide?
N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide has a molecular weight of 314.78 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]propanamide is sourced from PubChem (CID 58896997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).