acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne

C23H30N4O — CID 176990375

IUPACacetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne
SMILESC#C.C#CC.CC.CC(C1Nc2ncccc2NC1=O)C(N)c1ccccc1
InChIInChI=1S/C16H18N4O.C3H4.C2H6.C2H2/c1-10(13(17)11-6-3-2-4-7-11)14-16(21)19-12-8-5-9-18-15(12)20-14;1-3-2;2*1-2/h2-10,13-14H,17H2,1H3,(H,18,20)(H,19,21);1H,2H3;1-2H3;1-2H
InChIKeyADXHVYMASHXHGH-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.07
Rot. Bonds3

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

acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne (PubChem CID 176990375) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne.

Molecular Properties

Compound Nameacetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne
PubChem CID176990375
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Nameacetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne
SMILESC#C.C#CC.CC.CC(C1Nc2ncccc2NC1=O)C(N)c1ccccc1
InChIInChI=1S/C16H18N4O.C3H4.C2H6.C2H2/c1-10(13(17)11-6-3-2-4-7-11)14-16(21)19-12-8-5-9-18-15(12)20-14;1-3-2;2*1-2/h2-10,13-14H,17H2,1H3,(H,18,20)(H,19,21);1H,2H3;1-2H3;1-2H
InChIKeyADXHVYMASHXHGH-UHFFFAOYSA-N
XLogP4.07
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne?
The IUPAC name of acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne (CID 176990375) is acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne.
What is the SMILES notation for acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne?
The canonical SMILES for acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne is C#C.C#CC.CC.CC(C1Nc2ncccc2NC1=O)C(N)c1ccccc1.
What is the InChIKey of acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne?
The InChIKey is ADXHVYMASHXHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O.C3H4.C2H6.C2H2/c1-10(13(17)11-6-3-2-4-7-11)14-16(21)19-12-8-5-9-18-15(12)20-14;1-3-2;2*1-2/h2-10,13-14H,17H2,1H3,(H,18,20)(H,19,21);1H,2H3;1-2H3;1-2H.
What are the key properties of acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne?
acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne has a molecular weight of 378.52 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-(1-amino-1-phenylpropan-2-yl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;ethane;prop-1-yne is sourced from PubChem (CID 176990375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).