4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C21H17ClN4O2 — CID 167471705

IUPAC4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(-c4ccccc4Cl)[nH]c(=O)c3)ccnc2[nH]1
InChIInChI=1S/C21H17ClN4O2/c1-2-23-21(28)18-11-15-13(7-8-24-20(15)26-18)12-9-17(25-19(27)10-12)14-5-3-4-6-16(14)22/h3-11H,2H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyVAVNATRFHDXOPS-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.99
Rot. Bonds4

About 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 167471705) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID167471705
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(-c4ccccc4Cl)[nH]c(=O)c3)ccnc2[nH]1
InChIInChI=1S/C21H17ClN4O2/c1-2-23-21(28)18-11-15-13(7-8-24-20(15)26-18)12-9-17(25-19(27)10-12)14-5-3-4-6-16(14)22/h3-11H,2H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyVAVNATRFHDXOPS-UHFFFAOYSA-N
XLogP3.99
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 167471705) is 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc(-c4ccccc4Cl)[nH]c(=O)c3)ccnc2[nH]1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is VAVNATRFHDXOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-2-23-21(28)18-11-15-13(7-8-24-20(15)26-18)12-9-17(25-19(27)10-12)14-5-3-4-6-16(14)22/h3-11H,2H2,1H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-N-ethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167471705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).