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

C14H14N4O3 — CID 59208477

IUPAC5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1ccc(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C14H14N4O3/c1-2-16-14(21)18-12-4-3-9(8-17-12)10-5-11(13(19)20)7-15-6-10/h3-8H,2H2,1H3,(H,19,20)(H2,16,17,18,21)
InChIKeyCOHPPYYIBHNRJA-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.98
Rot. Bonds4

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

5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 59208477) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID59208477
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1ccc(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C14H14N4O3/c1-2-16-14(21)18-12-4-3-9(8-17-12)10-5-11(13(19)20)7-15-6-10/h3-8H,2H2,1H3,(H,19,20)(H2,16,17,18,21)
InChIKeyCOHPPYYIBHNRJA-UHFFFAOYSA-N
XLogP1.98
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid (CID 59208477) is 5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid is CCNC(=O)Nc1ccc(-c2cncc(C(=O)O)c2)cn1.
What is the InChIKey of 5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is COHPPYYIBHNRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-2-16-14(21)18-12-4-3-9(8-17-12)10-5-11(13(19)20)7-15-6-10/h3-8H,2H2,1H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid?
5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylcarbamoylamino)-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59208477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).