5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide

C22H19N3O3 — CID 155372605

IUPAC5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c[nH]c12
InChIInChI=1S/C22H19N3O3/c1-14-13-25(2)22(27)19-18(12-23-20(14)19)21(26)24-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,24,26)
InChIKeyIXVHLDAHLAURDT-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.22
Rot. Bonds4

About 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide

5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 155372605) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID155372605
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c[nH]c12
InChIInChI=1S/C22H19N3O3/c1-14-13-25(2)22(27)19-18(12-23-20(14)19)21(26)24-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,24,26)
InChIKeyIXVHLDAHLAURDT-UHFFFAOYSA-N
XLogP4.22
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862650
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-phenoxyphenyl)-1H-pyrimidine-5-carboxamide
CID 121026774
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
5-methoxy-1-methyl-4-oxo-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 51054204
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide
CID 167795680
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide (CID 155372605) is 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide is Cc1cn(C)c(=O)c2c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c[nH]c12.
What is the InChIKey of 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is IXVHLDAHLAURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-13-25(2)22(27)19-18(12-23-20(14)19)21(26)24-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,24,26).
What are the key properties of 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide?
5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 155372605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).