N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide

C22H19N3O2 — CID 121334604

IUPACN-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2cn(C)c(=O)c3[nH]ccc23)cc1)c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-24-14-19(18-12-13-23-20(18)22(24)27)15-8-10-16(11-9-15)21(26)25(2)17-6-4-3-5-7-17/h3-14,23H,1-2H3
InChIKeyMLHSKFFUZSUUEV-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.81
Rot. Bonds3

About N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide

N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide (PubChem CID 121334604) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide
PubChem CID121334604
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2cn(C)c(=O)c3[nH]ccc23)cc1)c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-24-14-19(18-12-13-23-20(18)22(24)27)15-8-10-16(11-9-15)21(26)25(2)17-6-4-3-5-7-17/h3-14,23H,1-2H3
InChIKeyMLHSKFFUZSUUEV-UHFFFAOYSA-N
XLogP3.81
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide?
The IUPAC name of N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide (CID 121334604) is N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide.
What is the SMILES notation for N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide?
The canonical SMILES for N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide is CN(C(=O)c1ccc(-c2cn(C)c(=O)c3[nH]ccc23)cc1)c1ccccc1.
What is the InChIKey of N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide?
The InChIKey is MLHSKFFUZSUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-24-14-19(18-12-13-23-20(18)22(24)27)15-8-10-16(11-9-15)21(26)25(2)17-6-4-3-5-7-17/h3-14,23H,1-2H3.
What are the key properties of N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide?
N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide has a molecular weight of 357.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide is sourced from PubChem (CID 121334604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).