3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid

C15H14N2O3 — CID 43523910

IUPAC3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
SMILESCC(NC(=O)c1cccc(C(=O)O)c1)c1cccnc1
InChIInChI=1S/C15H14N2O3/c1-10(13-6-3-7-16-9-13)17-14(18)11-4-2-5-12(8-11)15(19)20/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyCWBKDPVPQZBDCL-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.27
Rot. Bonds4

About 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid

3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid (PubChem CID 43523910) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
PubChem CID43523910
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
SMILESCC(NC(=O)c1cccc(C(=O)O)c1)c1cccnc1
InChIInChI=1S/C15H14N2O3/c1-10(13-6-3-7-16-9-13)17-14(18)11-4-2-5-12(8-11)15(19)20/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyCWBKDPVPQZBDCL-UHFFFAOYSA-N
XLogP2.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 81403974
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 18162985
N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid?
The IUPAC name of 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid (CID 43523910) is 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid.
What is the SMILES notation for 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid?
The canonical SMILES for 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid is CC(NC(=O)c1cccc(C(=O)O)c1)c1cccnc1.
What is the InChIKey of 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid?
The InChIKey is CWBKDPVPQZBDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(13-6-3-7-16-9-13)17-14(18)11-4-2-5-12(8-11)15(19)20/h2-10H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid?
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid is sourced from PubChem (CID 43523910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).