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

C14H13BrN4O3 — CID 72712257

IUPAC5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(Br)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C14H13BrN4O3/c1-2-17-14(22)19-12-4-11(15)10(7-18-12)8-3-9(13(20)21)6-16-5-8/h3-7H,2H2,1H3,(H,20,21)(H2,17,18,19,22)
InChIKeyRZRBUMJCRYAUJG-UHFFFAOYSA-N
MW365.19 g/mol
LogP2.75
Rot. Bonds4

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

5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 72712257) has the molecular formula C14H13BrN4O3 and a molecular weight of 365.19 g/mol. Its IUPAC name is 5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID72712257
Molecular FormulaC14H13BrN4O3
Molecular Weight365.19 g/mol
Exact Mass364.02
IUPAC Name5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(Br)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C14H13BrN4O3/c1-2-17-14(22)19-12-4-11(15)10(7-18-12)8-3-9(13(20)21)6-16-5-8/h3-7H,2H2,1H3,(H,20,21)(H2,17,18,19,22)
InChIKeyRZRBUMJCRYAUJG-UHFFFAOYSA-N
XLogP2.75
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid (CID 72712257) is 5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid is CCNC(=O)Nc1cc(Br)c(-c2cncc(C(=O)O)c2)cn1.
What is the InChIKey of 5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is RZRBUMJCRYAUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O3/c1-2-17-14(22)19-12-4-11(15)10(7-18-12)8-3-9(13(20)21)6-16-5-8/h3-7H,2H2,1H3,(H,20,21)(H2,17,18,19,22).
What are the key properties of 5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid?
5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 365.19 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-bromo-6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 72712257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).