4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide

C15H20N4O2 — CID 53189854

IUPAC4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NC(C)C)nc2cccnc21
InChIInChI=1S/C15H20N4O2/c1-9(2)8-19-13-11(6-5-7-16-13)18-12(15(19)21)14(20)17-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,17,20)
InChIKeyAOTPGMIHVXZLIB-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.59
Rot. Bonds4

About 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide

4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 53189854) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID53189854
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)NC(C)C)nc2cccnc21
InChIInChI=1S/C15H20N4O2/c1-9(2)8-19-13-11(6-5-7-16-13)18-12(15(19)21)14(20)17-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,17,20)
InChIKeyAOTPGMIHVXZLIB-UHFFFAOYSA-N
XLogP1.59
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide (CID 53189854) is 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide is CC(C)Cn1c(=O)c(C(=O)NC(C)C)nc2cccnc21.
What is the InChIKey of 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is AOTPGMIHVXZLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(2)8-19-13-11(6-5-7-16-13)18-12(15(19)21)14(20)17-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,17,20).
What are the key properties of 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide?
4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 53189854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).