2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C21H24N6O2 — CID 174008992

IUPAC2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCC(N)=C(C1=CCOCC1)/C(C)=N/CC(=O)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C21H24N6O2/c1-14(22)21(16-5-9-29-10-6-16)15(2)25-13-20(28)27-19-4-3-17(11-26-19)18-12-23-7-8-24-18/h3-5,7-8,11-12H,6,9-10,13,22H2,1-2H3,(H,26,27,28)/b21-14?,25-15+
InChIKeyDLBDWRYCBLXXNO-FJFJROOESA-N
MW392.46 g/mol
LogP2.52
Rot. Bonds6

About 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 174008992) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID174008992
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCC(N)=C(C1=CCOCC1)/C(C)=N/CC(=O)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C21H24N6O2/c1-14(22)21(16-5-9-29-10-6-16)15(2)25-13-20(28)27-19-4-3-17(11-26-19)18-12-23-7-8-24-18/h3-5,7-8,11-12H,6,9-10,13,22H2,1-2H3,(H,26,27,28)/b21-14?,25-15+
InChIKeyDLBDWRYCBLXXNO-FJFJROOESA-N
XLogP2.52
TPSA115.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 174008992) is 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is CC(N)=C(C1=CCOCC1)/C(C)=N/CC(=O)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is DLBDWRYCBLXXNO-FJFJROOESA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14(22)21(16-5-9-29-10-6-16)15(2)25-13-20(28)27-19-4-3-17(11-26-19)18-12-23-7-8-24-18/h3-5,7-8,11-12H,6,9-10,13,22H2,1-2H3,(H,26,27,28)/b21-14?,25-15+.
What are the key properties of 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-3-(3,6-dihydro-2H-pyran-4-yl)pent-3-en-2-ylidene]amino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 174008992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).