N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide

C19H21N3O — CID 166901004

IUPACN-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESCC(C)(C)CNC(=O)c1ccc(-c2nccc3[nH]ccc23)cc1
InChIInChI=1S/C19H21N3O/c1-19(2,3)12-22-18(23)14-6-4-13(5-7-14)17-15-8-10-20-16(15)9-11-21-17/h4-11,20H,12H2,1-3H3,(H,22,23)
InChIKeyXOBXFALCMYTSDH-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.01
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide

N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide (PubChem CID 166901004) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
PubChem CID166901004
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESCC(C)(C)CNC(=O)c1ccc(-c2nccc3[nH]ccc23)cc1
InChIInChI=1S/C19H21N3O/c1-19(2,3)12-22-18(23)14-6-4-13(5-7-14)17-15-8-10-20-16(15)9-11-21-17/h4-11,20H,12H2,1-3H3,(H,22,23)
InChIKeyXOBXFALCMYTSDH-UHFFFAOYSA-N
XLogP4.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)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-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide (CID 166901004) is N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide is CC(C)(C)CNC(=O)c1ccc(-c2nccc3[nH]ccc23)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The InChIKey is XOBXFALCMYTSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2,3)12-22-18(23)14-6-4-13(5-7-14)17-15-8-10-20-16(15)9-11-21-17/h4-11,20H,12H2,1-3H3,(H,22,23).
What are the key properties of N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide is sourced from PubChem (CID 166901004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).