(3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C18H20N4O3 — CID 170320079

IUPAC(3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(C)[C@H]1C(=O)Nc2cccnc2N1C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C18H20N4O3/c1-4-11(2)15-17(24)20-13-6-5-9-19-16(13)22(15)18(25)12-7-8-14(23)21(3)10-12/h5-11,15H,4H2,1-3H3,(H,20,24)/t11?,15-/m0/s1
InChIKeyJLJQUZVFOGJBAP-MHTVFEQDSA-N
MW340.38 g/mol
LogP1.79
Rot. Bonds3

About (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one

(3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 170320079) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name(3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID170320079
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCCC(C)[C@H]1C(=O)Nc2cccnc2N1C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C18H20N4O3/c1-4-11(2)15-17(24)20-13-6-5-9-19-16(13)22(15)18(25)12-7-8-14(23)21(3)10-12/h5-11,15H,4H2,1-3H3,(H,20,24)/t11?,15-/m0/s1
InChIKeyJLJQUZVFOGJBAP-MHTVFEQDSA-N
XLogP1.79
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 170320079) is (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is CCC(C)[C@H]1C(=O)Nc2cccnc2N1C(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is JLJQUZVFOGJBAP-MHTVFEQDSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-11(2)15-17(24)20-13-6-5-9-19-16(13)22(15)18(25)12-7-8-14(23)21(3)10-12/h5-11,15H,4H2,1-3H3,(H,20,24)/t11?,15-/m0/s1.
What are the key properties of (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
(3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 340.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-butan-2-yl-4-(1-methyl-6-oxopyridine-3-carbonyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 170320079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).