N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide

C24H23N5O2 — CID 57391854

IUPACN-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)c1
InChIInChI=1S/C24H23N5O2/c1-15(2)27-23(30)17-4-3-5-19(14-17)29-24(31)28-18-8-6-16(7-9-18)20-10-12-25-22-21(20)11-13-26-22/h3-15H,1-2H3,(H,25,26)(H,27,30)(H2,28,29,31)
InChIKeySHMUUFYLGYRWKD-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.01
Rot. Bonds5

About N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide

N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide (PubChem CID 57391854) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide
PubChem CID57391854
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)c1
InChIInChI=1S/C24H23N5O2/c1-15(2)27-23(30)17-4-3-5-19(14-17)29-24(31)28-18-8-6-16(7-9-18)20-10-12-25-22-21(20)11-13-26-22/h3-15H,1-2H3,(H,25,26)(H,27,30)(H2,28,29,31)
InChIKeySHMUUFYLGYRWKD-UHFFFAOYSA-N
XLogP5.01
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide 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-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide (CID 57391854) is N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide is CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]ccc34)cc2)c1.
What is the InChIKey of N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide?
The InChIKey is SHMUUFYLGYRWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15(2)27-23(30)17-4-3-5-19(14-17)29-24(31)28-18-8-6-16(7-9-18)20-10-12-25-22-21(20)11-13-26-22/h3-15H,1-2H3,(H,25,26)(H,27,30)(H2,28,29,31).
What are the key properties of N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide?
N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide has a molecular weight of 413.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 57391854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).