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

C15H10Cl3N3O — CID 135253003

IUPAC3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(Cl)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21
InChIInChI=1S/C15H10Cl3N3O/c1-21-7-11(17)12-13(18)10(6-19-14(12)21)15(22)20-9-4-2-8(16)3-5-9/h2-7H,1H3,(H,20,22)
InChIKeyJVXLMWYEDMYVEQ-UHFFFAOYSA-N
MW354.62 g/mol
LogP4.79
Rot. Bonds2

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

3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 135253003) has the molecular formula C15H10Cl3N3O and a molecular weight of 354.62 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID135253003
Molecular FormulaC15H10Cl3N3O
Molecular Weight354.62 g/mol
Exact Mass352.99
IUPAC Name3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCn1cc(Cl)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21
InChIInChI=1S/C15H10Cl3N3O/c1-21-7-11(17)12-13(18)10(6-19-14(12)21)15(22)20-9-4-2-8(16)3-5-9/h2-7H,1H3,(H,20,22)
InChIKeyJVXLMWYEDMYVEQ-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457407
4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253007
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135252989
1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253068
4-chloro-1,3-dimethyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253001
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457031
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-oxazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458533
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-pyrazol-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253194
lithium;argon;azane;tris(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-fluoro-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-3-fluoro-1-methylpyrazolo[3,4-b]pyridine);4-chloro-1-methylpyrazolo[3,4-b]pyridine;methane;hydroxide
CID 158933410
4-chloro-3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 145130823

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 135253003) is 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide is Cn1cc(Cl)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21.
What is the InChIKey of 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is JVXLMWYEDMYVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O/c1-21-7-11(17)12-13(18)10(6-19-14(12)21)15(22)20-9-4-2-8(16)3-5-9/h2-7H,1H3,(H,20,22).
What are the key properties of 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 354.62 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 135253003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).