2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid

C19H22N4O2 — CID 135308397

IUPAC2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid
SMILESCCCCc1cn(CCN)c2cc(-c3cc(C(=O)O)ccn3)ncc12
InChIInChI=1S/C19H22N4O2/c1-2-3-4-14-12-23(8-6-20)18-10-17(22-11-15(14)18)16-9-13(19(24)25)5-7-21-16/h5,7,9-12H,2-4,6,8,20H2,1H3,(H,24,25)
InChIKeyUPAZORWYQKLNBR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.10
Rot. Bonds7

About 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid

2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid (PubChem CID 135308397) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid
PubChem CID135308397
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid
SMILESCCCCc1cn(CCN)c2cc(-c3cc(C(=O)O)ccn3)ncc12
InChIInChI=1S/C19H22N4O2/c1-2-3-4-14-12-23(8-6-20)18-10-17(22-11-15(14)18)16-9-13(19(24)25)5-7-21-16/h5,7,9-12H,2-4,6,8,20H2,1H3,(H,24,25)
InChIKeyUPAZORWYQKLNBR-UHFFFAOYSA-N
XLogP3.10
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid (CID 135308397) is 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid is CCCCc1cn(CCN)c2cc(-c3cc(C(=O)O)ccn3)ncc12.
What is the InChIKey of 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid?
The InChIKey is UPAZORWYQKLNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-3-4-14-12-23(8-6-20)18-10-17(22-11-15(14)18)16-9-13(19(24)25)5-7-21-16/h5,7,9-12H,2-4,6,8,20H2,1H3,(H,24,25).
What are the key properties of 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid?
2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-3-butylpyrrolo[3,2-c]pyridin-6-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135308397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).