4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid

C15H15N3O3 — CID 59208509

IUPAC4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid
SMILESCCNC(=O)Nc1ccc(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C15H15N3O3/c1-2-16-15(21)18-13-8-7-12(9-17-13)10-3-5-11(6-4-10)14(19)20/h3-9H,2H2,1H3,(H,19,20)(H2,16,17,18,21)
InChIKeyYEKQJMWWLRXAAB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.59
Rot. Bonds4

About 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid

4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid (PubChem CID 59208509) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid
PubChem CID59208509
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid
SMILESCCNC(=O)Nc1ccc(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C15H15N3O3/c1-2-16-15(21)18-13-8-7-12(9-17-13)10-3-5-11(6-4-10)14(19)20/h3-9H,2H2,1H3,(H,19,20)(H2,16,17,18,21)
InChIKeyYEKQJMWWLRXAAB-UHFFFAOYSA-N
XLogP2.59
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid (CID 59208509) is 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid is CCNC(=O)Nc1ccc(-c2ccc(C(=O)O)cc2)cn1.
What is the InChIKey of 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid?
The InChIKey is YEKQJMWWLRXAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-16-15(21)18-13-8-7-12(9-17-13)10-3-5-11(6-4-10)14(19)20/h3-9H,2H2,1H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid?
4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylcarbamoylamino)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 59208509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).