1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid

C13H14N4O2 — CID 115445707

IUPAC1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNc2ccc3nccnc3n2)CCC1
InChIInChI=1S/C13H14N4O2/c18-12(19)13(4-1-5-13)8-16-10-3-2-9-11(17-10)15-7-6-14-9/h2-3,6-7H,1,4-5,8H2,(H,18,19)(H,15,16,17)
InChIKeyJZQPICJHBXQQJH-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.69
Rot. Bonds4

About 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid

1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445707) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115445707
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNc2ccc3nccnc3n2)CCC1
InChIInChI=1S/C13H14N4O2/c18-12(19)13(4-1-5-13)8-16-10-3-2-9-11(17-10)15-7-6-14-9/h2-3,6-7H,1,4-5,8H2,(H,18,19)(H,15,16,17)
InChIKeyJZQPICJHBXQQJH-UHFFFAOYSA-N
XLogP1.69
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid (CID 115445707) is 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNc2ccc3nccnc3n2)CCC1.
What is the InChIKey of 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is JZQPICJHBXQQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-12(19)13(4-1-5-13)8-16-10-3-2-9-11(17-10)15-7-6-14-9/h2-3,6-7H,1,4-5,8H2,(H,18,19)(H,15,16,17).
What are the key properties of 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).