3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid

C15H15N3O3 — CID 67107966

IUPAC3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid
SMILESCN(C)c1c(C(=O)O)cccc1-c1cnccc1C(N)=O
InChIInChI=1S/C15H15N3O3/c1-18(2)13-9(4-3-5-11(13)15(20)21)12-8-17-7-6-10(12)14(16)19/h3-8H,1-2H3,(H2,16,19)(H,20,21)
InChIKeyLVNQKFRJEPHXDS-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.61
Rot. Bonds4

About 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid

3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid (PubChem CID 67107966) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid.

Molecular Properties

Compound Name3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid
PubChem CID67107966
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid
SMILESCN(C)c1c(C(=O)O)cccc1-c1cnccc1C(N)=O
InChIInChI=1S/C15H15N3O3/c1-18(2)13-9(4-3-5-11(13)15(20)21)12-8-17-7-6-10(12)14(16)19/h3-8H,1-2H3,(H2,16,19)(H,20,21)
InChIKeyLVNQKFRJEPHXDS-UHFFFAOYSA-N
XLogP1.61
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid?
The IUPAC name of 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid (CID 67107966) is 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid.
What is the SMILES notation for 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid?
The canonical SMILES for 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid is CN(C)c1c(C(=O)O)cccc1-c1cnccc1C(N)=O.
What is the InChIKey of 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid?
The InChIKey is LVNQKFRJEPHXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(2)13-9(4-3-5-11(13)15(20)21)12-8-17-7-6-10(12)14(16)19/h3-8H,1-2H3,(H2,16,19)(H,20,21).
What are the key properties of 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid?
3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid is sourced from PubChem (CID 67107966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).