5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid

C15H15N3O3 — CID 15121190

IUPAC5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C15H15N3O3/c1-18(2)12-6-4-11(5-7-12)17-14(19)10-3-8-13(15(20)21)16-9-10/h3-9H,1-2H3,(H,17,19)(H,20,21)
InChIKeyQTZIPLQCOPNOFC-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.10
Rot. Bonds4

About 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid

5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 15121190) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID15121190
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C15H15N3O3/c1-18(2)12-6-4-11(5-7-12)17-14(19)10-3-8-13(15(20)21)16-9-10/h3-9H,1-2H3,(H,17,19)(H,20,21)
InChIKeyQTZIPLQCOPNOFC-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 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 15121190) is 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid is CN(C)c1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is QTZIPLQCOPNOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(2)12-6-4-11(5-7-12)17-14(19)10-3-8-13(15(20)21)16-9-10/h3-9H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[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 5-[[4-(dimethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 15121190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).