3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid

C17H15N5O3 — CID 58881861

IUPAC3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid
SMILESCCNC(=O)Nc1ccc2ncc(-c3cccc(C(=O)O)c3)nc2n1
InChIInChI=1S/C17H15N5O3/c1-2-18-17(25)22-14-7-6-12-15(21-14)20-13(9-19-12)10-4-3-5-11(8-10)16(23)24/h3-9H,2H2,1H3,(H,23,24)(H2,18,20,21,22,25)
InChIKeyQNIVPEHJNNEEOH-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.53
Rot. Bonds4

About 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid

3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid (PubChem CID 58881861) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid
PubChem CID58881861
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid
SMILESCCNC(=O)Nc1ccc2ncc(-c3cccc(C(=O)O)c3)nc2n1
InChIInChI=1S/C17H15N5O3/c1-2-18-17(25)22-14-7-6-12-15(21-14)20-13(9-19-12)10-4-3-5-11(8-10)16(23)24/h3-9H,2H2,1H3,(H,23,24)(H2,18,20,21,22,25)
InChIKeyQNIVPEHJNNEEOH-UHFFFAOYSA-N
XLogP2.53
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid?
The IUPAC name of 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid (CID 58881861) is 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid.
What is the SMILES notation for 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid?
The canonical SMILES for 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid is CCNC(=O)Nc1ccc2ncc(-c3cccc(C(=O)O)c3)nc2n1.
What is the InChIKey of 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid?
The InChIKey is QNIVPEHJNNEEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-2-18-17(25)22-14-7-6-12-15(21-14)20-13(9-19-12)10-4-3-5-11(8-10)16(23)24/h3-9H,2H2,1H3,(H,23,24)(H2,18,20,21,22,25).
What are the key properties of 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid?
3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid has a molecular weight of 337.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]benzoic acid is sourced from PubChem (CID 58881861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).