5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid

C15H13N5O3S — CID 70815016

IUPAC5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(C(=O)O)s3)nc2n1
InChIInChI=1S/C15H13N5O3S/c1-2-16-15(23)20-12-6-3-8-13(19-12)18-9(7-17-8)10-4-5-11(24-10)14(21)22/h3-7H,2H2,1H3,(H,21,22)(H2,16,18,19,20,23)
InChIKeyBTZVAEQLDTZDKX-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.59
Rot. Bonds4

About 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid

5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid (PubChem CID 70815016) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
PubChem CID70815016
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC Name5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid
SMILESCCNC(=O)Nc1ccc2ncc(-c3ccc(C(=O)O)s3)nc2n1
InChIInChI=1S/C15H13N5O3S/c1-2-16-15(23)20-12-6-3-8-13(19-12)18-9(7-17-8)10-4-5-11(24-10)14(21)22/h3-7H,2H2,1H3,(H,21,22)(H2,16,18,19,20,23)
InChIKeyBTZVAEQLDTZDKX-UHFFFAOYSA-N
XLogP2.59
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid (CID 70815016) is 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid is CCNC(=O)Nc1ccc2ncc(-c3ccc(C(=O)O)s3)nc2n1.
What is the InChIKey of 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
The InChIKey is BTZVAEQLDTZDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c1-2-16-15(23)20-12-6-3-8-13(19-12)18-9(7-17-8)10-4-5-11(24-10)14(21)22/h3-7H,2H2,1H3,(H,21,22)(H2,16,18,19,20,23).
What are the key properties of 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid?
5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid has a molecular weight of 343.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 70815016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).