3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

C16H18N4O — CID 176990376

IUPAC3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCC(C1Nc2ncccc2NC1=O)C(N)c1ccccc1
InChIInChI=1S/C16H18N4O/c1-10(13(17)11-6-3-2-4-7-11)14-16(21)19-12-8-5-9-18-15(12)20-14/h2-10,13-14H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeySDBGMYBFBSBXDR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.15
Rot. Bonds3

About 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 176990376) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID176990376
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCC(C1Nc2ncccc2NC1=O)C(N)c1ccccc1
InChIInChI=1S/C16H18N4O/c1-10(13(17)11-6-3-2-4-7-11)14-16(21)19-12-8-5-9-18-15(12)20-14/h2-10,13-14H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeySDBGMYBFBSBXDR-UHFFFAOYSA-N
XLogP2.15
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (CID 176990376) is 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is CC(C1Nc2ncccc2NC1=O)C(N)c1ccccc1.
What is the InChIKey of 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is SDBGMYBFBSBXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(13(17)11-6-3-2-4-7-11)14-16(21)19-12-8-5-9-18-15(12)20-14/h2-10,13-14H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 282.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 176990376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).