3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid

C15H15N3O3 — CID 4157878

IUPAC3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)c2cccnc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c1-18(2)11-7-5-10(6-8-11)17-14(19)12-4-3-9-16-13(12)15(20)21/h3-9H,1-2H3,(H,17,19)(H,20,21)
InChIKeyCIMWJJMBGKXGIV-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.10
Rot. Bonds4

About 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid

3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 4157878) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID4157878
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)c2cccnc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c1-18(2)11-7-5-10(6-8-11)17-14(19)12-4-3-9-16-13(12)15(20)21/h3-9H,1-2H3,(H,17,19)(H,20,21)
InChIKeyCIMWJJMBGKXGIV-UHFFFAOYSA-N
XLogP2.10
TPSA82.53 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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 4157878) is 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid is CN(C)c1ccc(NC(=O)c2cccnc2C(=O)O)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is CIMWJJMBGKXGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(2)11-7-5-10(6-8-11)17-14(19)12-4-3-9-16-13(12)15(20)21/h3-9H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 4157878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).