(2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide

C11H15N5O2 — CID 70981492

IUPAC(2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)NCC(=O)N2
InChIInChI=1S/C11H15N5O2/c1-6(12-2)11(18)16-8-4-3-7-10(15-8)13-5-9(17)14-7/h3-4,6,12H,5H2,1-2H3,(H,14,17)(H2,13,15,16,18)/t6-/m0/s1
InChIKeyQKAPYJRSHYQNJL-LURJTMIESA-N
MW249.27 g/mol
LogP-0.01
Rot. Bonds3

About (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide

(2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide (PubChem CID 70981492) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide
PubChem CID70981492
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name(2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)NCC(=O)N2
InChIInChI=1S/C11H15N5O2/c1-6(12-2)11(18)16-8-4-3-7-10(15-8)13-5-9(17)14-7/h3-4,6,12H,5H2,1-2H3,(H,14,17)(H2,13,15,16,18)/t6-/m0/s1
InChIKeyQKAPYJRSHYQNJL-LURJTMIESA-N
XLogP-0.01
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide (CID 70981492) is (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)NCC(=O)N2.
What is the InChIKey of (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide?
The InChIKey is QKAPYJRSHYQNJL-LURJTMIESA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6(12-2)11(18)16-8-4-3-7-10(15-8)13-5-9(17)14-7/h3-4,6,12H,5H2,1-2H3,(H,14,17)(H2,13,15,16,18)/t6-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide?
(2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide has a molecular weight of 249.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-(2-oxo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-6-yl)propanamide is sourced from PubChem (CID 70981492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).