4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide

C16H13Cl2N3O — CID 135252989

IUPAC4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)Nc3ccccc3Cl)c(Cl)c12
InChIInChI=1S/C16H13Cl2N3O/c1-9-8-21(2)15-13(9)14(18)10(7-19-15)16(22)20-12-6-4-3-5-11(12)17/h3-8H,1-2H3,(H,20,22)
InChIKeyXSZJKLIIVCVABK-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.44
Rot. Bonds2

About 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide

4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 135252989) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID135252989
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)Nc3ccccc3Cl)c(Cl)c12
InChIInChI=1S/C16H13Cl2N3O/c1-9-8-21(2)15-13(9)14(18)10(7-19-15)16(22)20-12-6-4-3-5-11(12)17/h3-8H,1-2H3,(H,20,22)
InChIKeyXSZJKLIIVCVABK-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253007
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253003
4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253001
1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253068
N-(2-chlorophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236485
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
4-chloro-3-methyl-N-(2-methylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627315
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
4-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423439

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 135252989) is 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide is Cc1cn(C)c2ncc(C(=O)Nc3ccccc3Cl)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is XSZJKLIIVCVABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-9-8-21(2)15-13(9)14(18)10(7-19-15)16(22)20-12-6-4-3-5-11(12)17/h3-8H,1-2H3,(H,20,22).
What are the key properties of 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide?
4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 334.21 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 135252989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).