6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid

C19H19FN4O4 — CID 119182617

IUPAC6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C19H19FN4O4/c20-12-4-6-13(7-5-12)21-19(28)22-14-8-10-24(11-9-14)17(25)15-2-1-3-16(23-15)18(26)27/h1-7,14H,8-11H2,(H,26,27)(H2,21,22,28)
InChIKeyVGCKSPGREWLVDT-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.35
Rot. Bonds4

About 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid

6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119182617) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119182617
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C19H19FN4O4/c20-12-4-6-13(7-5-12)21-19(28)22-14-8-10-24(11-9-14)17(25)15-2-1-3-16(23-15)18(26)27/h1-7,14H,8-11H2,(H,26,27)(H2,21,22,28)
InChIKeyVGCKSPGREWLVDT-UHFFFAOYSA-N
XLogP2.35
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119182617) is 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid is O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is VGCKSPGREWLVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c20-12-4-6-13(7-5-12)21-19(28)22-14-8-10-24(11-9-14)17(25)15-2-1-3-16(23-15)18(26)27/h1-7,14H,8-11H2,(H,26,27)(H2,21,22,28).
What are the key properties of 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 386.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)carbamoylamino]piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119182617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).