5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid

C19H16FN5O3 — CID 59208350

IUPAC5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2ccc(F)nc2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C19H16FN5O3/c1-2-22-19(28)25-17-6-14(11-3-4-16(20)23-9-11)15(10-24-17)12-5-13(18(26)27)8-21-7-12/h3-10H,2H2,1H3,(H,26,27)(H2,22,24,25,28)
InChIKeyDKINYSZVEHTNLB-UHFFFAOYSA-N
MW381.37 g/mol
LogP3.18
Rot. Bonds5

About 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid

5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 59208350) has the molecular formula C19H16FN5O3 and a molecular weight of 381.37 g/mol. Its IUPAC name is 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID59208350
Molecular FormulaC19H16FN5O3
Molecular Weight381.37 g/mol
Exact Mass381.12
IUPAC Name5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2ccc(F)nc2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C19H16FN5O3/c1-2-22-19(28)25-17-6-14(11-3-4-16(20)23-9-11)15(10-24-17)12-5-13(18(26)27)8-21-7-12/h3-10H,2H2,1H3,(H,26,27)(H2,22,24,25,28)
InChIKeyDKINYSZVEHTNLB-UHFFFAOYSA-N
XLogP3.18
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid (CID 59208350) is 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid is CCNC(=O)Nc1cc(-c2ccc(F)nc2)c(-c2cncc(C(=O)O)c2)cn1.
What is the InChIKey of 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is DKINYSZVEHTNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O3/c1-2-22-19(28)25-17-6-14(11-3-4-16(20)23-9-11)15(10-24-17)12-5-13(18(26)27)8-21-7-12/h3-10H,2H2,1H3,(H,26,27)(H2,22,24,25,28).
What are the key properties of 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid?
5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 381.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylcarbamoylamino)-4-(6-fluoro-3-pyridinyl)-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59208350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).