2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid

C19H19N3O3 — CID 158477865

IUPAC2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid
SMILESCCC(=O)c1cc(C(=O)O)cc(C(CC)c2cncc3[nH]ccc23)n1
InChIInChI=1S/C19H19N3O3/c1-3-12(14-9-20-10-17-13(14)5-6-21-17)15-7-11(19(24)25)8-16(22-15)18(23)4-2/h5-10,12,21H,3-4H2,1-2H3,(H,24,25)
InChIKeyHHDRGMGMICMING-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.79
Rot. Bonds6

About 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid

2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid (PubChem CID 158477865) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid
PubChem CID158477865
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid
SMILESCCC(=O)c1cc(C(=O)O)cc(C(CC)c2cncc3[nH]ccc23)n1
InChIInChI=1S/C19H19N3O3/c1-3-12(14-9-20-10-17-13(14)5-6-21-17)15-7-11(19(24)25)8-16(22-15)18(23)4-2/h5-10,12,21H,3-4H2,1-2H3,(H,24,25)
InChIKeyHHDRGMGMICMING-UHFFFAOYSA-N
XLogP3.79
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid (CID 158477865) is 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid is CCC(=O)c1cc(C(=O)O)cc(C(CC)c2cncc3[nH]ccc23)n1.
What is the InChIKey of 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid?
The InChIKey is HHDRGMGMICMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-12(14-9-20-10-17-13(14)5-6-21-17)15-7-11(19(24)25)8-16(22-15)18(23)4-2/h5-10,12,21H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid?
2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoyl-6-[1-(1H-pyrrolo[2,3-c]pyridin-4-yl)propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158477865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).