2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid

C20H17N3O3 — CID 45378188

IUPAC2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)NCCc3ccccc3)ccn2)c1
InChIInChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26)
InChIKeyDSGOLESVOJUGOK-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.81
Rot. Bonds6

About 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid

2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 45378188) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID45378188
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)NCCc3ccccc3)ccn2)c1
InChIInChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26)
InChIKeyDSGOLESVOJUGOK-UHFFFAOYSA-N
XLogP2.81
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid (CID 45378188) is 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)NCCc3ccccc3)ccn2)c1.
What is the InChIKey of 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is DSGOLESVOJUGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26).
What are the key properties of 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid?
2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 45378188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).