4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid

C19H19N3O2 — CID 142785656

IUPAC4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid
SMILESCCCCc1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C(=O)O
InChIInChI=1S/C19H19N3O2/c1-2-3-4-15-16(19(23)24)18(14-7-11-21-12-8-14)22-17(15)13-5-9-20-10-6-13/h5-12,22H,2-4H2,1H3,(H,23,24)
InChIKeyNINPAWZNOBSLND-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.18
Rot. Bonds6

About 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid

4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid (PubChem CID 142785656) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid
PubChem CID142785656
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid
SMILESCCCCc1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C(=O)O
InChIInChI=1S/C19H19N3O2/c1-2-3-4-15-16(19(23)24)18(14-7-11-21-12-8-14)22-17(15)13-5-9-20-10-6-13/h5-12,22H,2-4H2,1H3,(H,23,24)
InChIKeyNINPAWZNOBSLND-UHFFFAOYSA-N
XLogP4.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid (CID 142785656) is 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid is CCCCc1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C(=O)O.
What is the InChIKey of 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid?
The InChIKey is NINPAWZNOBSLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-3-4-15-16(19(23)24)18(14-7-11-21-12-8-14)22-17(15)13-5-9-20-10-6-13/h5-12,22H,2-4H2,1H3,(H,23,24).
What are the key properties of 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid?
4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 142785656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).