2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid

C17H17N5O2 — CID 70659354

IUPAC2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)cnc2nc1-c1cccnc1
InChIInChI=1S/C17H17N5O2/c1-10(2)22(3)16-14(11-5-4-6-18-8-11)21-15-13(20-16)7-12(9-19-15)17(23)24/h4-10H,1-3H3,(H,23,24)
InChIKeyOGZPFFSSBICPQC-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.63
Rot. Bonds4

About 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid

2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 70659354) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
PubChem CID70659354
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)cnc2nc1-c1cccnc1
InChIInChI=1S/C17H17N5O2/c1-10(2)22(3)16-14(11-5-4-6-18-8-11)21-15-13(20-16)7-12(9-19-15)17(23)24/h4-10H,1-3H3,(H,23,24)
InChIKeyOGZPFFSSBICPQC-UHFFFAOYSA-N
XLogP2.63
TPSA92.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid (CID 70659354) is 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid is CC(C)N(C)c1nc2cc(C(=O)O)cnc2nc1-c1cccnc1.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is OGZPFFSSBICPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10(2)22(3)16-14(11-5-4-6-18-8-11)21-15-13(20-16)7-12(9-19-15)17(23)24/h4-10H,1-3H3,(H,23,24).
What are the key properties of 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid?
2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 323.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 70659354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).