[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid

C13H14ClN5O2 — CID 89477527

IUPAC[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
SMILESCc1cnc2nc(N3CC(N(C)C(=O)O)C3)c(Cl)nc2c1
InChIInChI=1S/C13H14ClN5O2/c1-7-3-9-11(15-4-7)17-12(10(14)16-9)19-5-8(6-19)18(2)13(20)21/h3-4,8H,5-6H2,1-2H3,(H,20,21)
InChIKeyWQMFCNIDOSVHMB-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.79
Rot. Bonds2

About [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid

[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid (PubChem CID 89477527) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
PubChem CID89477527
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid
SMILESCc1cnc2nc(N3CC(N(C)C(=O)O)C3)c(Cl)nc2c1
InChIInChI=1S/C13H14ClN5O2/c1-7-3-9-11(15-4-7)17-12(10(14)16-9)19-5-8(6-19)18(2)13(20)21/h3-4,8H,5-6H2,1-2H3,(H,20,21)
InChIKeyWQMFCNIDOSVHMB-UHFFFAOYSA-N
XLogP1.79
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
The IUPAC name of [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid (CID 89477527) is [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
The canonical SMILES for [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid is Cc1cnc2nc(N3CC(N(C)C(=O)O)C3)c(Cl)nc2c1.
What is the InChIKey of [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
The InChIKey is WQMFCNIDOSVHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-7-3-9-11(15-4-7)17-12(10(14)16-9)19-5-8(6-19)18(2)13(20)21/h3-4,8H,5-6H2,1-2H3,(H,20,21).
What are the key properties of [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid?
[1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid has a molecular weight of 307.74 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-7-methylpyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-methylcarbamic acid is sourced from PubChem (CID 89477527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).