(E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide

C26H25N3O4 — CID 27378100

IUPAC(E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O
InChIInChI=1S/C26H25N3O4/c30-23-17-22-26(32)28(14-13-27-25(31)12-11-20-7-3-1-4-8-20)15-16-29(22)18-24(23)33-19-21-9-5-2-6-10-21/h1-12,17-18H,13-16,19H2,(H,27,31)/b12-11+
InChIKeyBXIPIQOPCXXCKS-VAWYXSNFSA-N
MW443.50 g/mol
LogP2.71
Rot. Bonds8

About (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 27378100) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID27378100
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name(E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O
InChIInChI=1S/C26H25N3O4/c30-23-17-22-26(32)28(14-13-27-25(31)12-11-20-7-3-1-4-8-20)15-16-29(22)18-24(23)33-19-21-9-5-2-6-10-21/h1-12,17-18H,13-16,19H2,(H,27,31)/b12-11+
InChIKeyBXIPIQOPCXXCKS-VAWYXSNFSA-N
XLogP2.71
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide (CID 27378100) is (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O.
What is the InChIKey of (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is BXIPIQOPCXXCKS-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H25N3O4/c30-23-17-22-26(32)28(14-13-27-25(31)12-11-20-7-3-1-4-8-20)15-16-29(22)18-24(23)33-19-21-9-5-2-6-10-21/h1-12,17-18H,13-16,19H2,(H,27,31)/b12-11+.
What are the key properties of (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 443.50 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 27378100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).