N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C14H9Cl2N3O — CID 134791402

IUPACN-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c2cccnc12
InChIInChI=1S/C14H9Cl2N3O/c15-8-3-4-11(10(16)6-8)19-14(20)9-7-18-12-2-1-5-17-13(9)12/h1-7,18H,(H,19,20)
InChIKeyIUTKPGDJKYKIIY-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.12
Rot. Bonds2

About N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 134791402) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID134791402
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC NameN-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c2cccnc12
InChIInChI=1S/C14H9Cl2N3O/c15-8-3-4-11(10(16)6-8)19-14(20)9-7-18-12-2-1-5-17-13(9)12/h1-7,18H,(H,19,20)
InChIKeyIUTKPGDJKYKIIY-UHFFFAOYSA-N
XLogP4.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 134791402) is N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1c[nH]c2cccnc12.
What is the InChIKey of N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is IUTKPGDJKYKIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-8-3-4-11(10(16)6-8)19-14(20)9-7-18-12-2-1-5-17-13(9)12/h1-7,18H,(H,19,20).
What are the key properties of N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 306.15 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 134791402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).