3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid

C16H16N4O3 — CID 70659745

IUPAC3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccnc1
InChIInChI=1S/C16H16N4O3/c1-9(2)20(3)14-13(10-5-4-6-17-8-10)18-11-7-12(16(21)22)23-15(11)19-14/h4-9H,1-3H3,(H,21,22)
InChIKeySTASLTGGJBGMTH-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.83
Rot. Bonds4

About 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid

3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70659745) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70659745
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccnc1
InChIInChI=1S/C16H16N4O3/c1-9(2)20(3)14-13(10-5-4-6-17-8-10)18-11-7-12(16(21)22)23-15(11)19-14/h4-9H,1-3H3,(H,21,22)
InChIKeySTASLTGGJBGMTH-UHFFFAOYSA-N
XLogP2.83
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid (CID 70659745) is 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid is CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cccnc1.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is STASLTGGJBGMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-9(2)20(3)14-13(10-5-4-6-17-8-10)18-11-7-12(16(21)22)23-15(11)19-14/h4-9H,1-3H3,(H,21,22).
What are the key properties of 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid?
3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70659745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).