N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C23H22N4O5 — CID 27378090

IUPACN-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C23H22N4O5/c28-19-12-18-23(31)26(9-8-24-22(30)17-6-7-21(29)25-13-17)10-11-27(18)14-20(19)32-15-16-4-2-1-3-5-16/h1-7,12-14H,8-11,15H2,(H,24,30)(H,25,29)
InChIKeyQRPLKZXNVDYKHA-UHFFFAOYSA-N
MW434.45 g/mol
LogP1.00
Rot. Bonds7

About N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 27378090) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID27378090
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C23H22N4O5/c28-19-12-18-23(31)26(9-8-24-22(30)17-6-7-21(29)25-13-17)10-11-27(18)14-20(19)32-15-16-4-2-1-3-5-16/h1-7,12-14H,8-11,15H2,(H,24,30)(H,25,29)
InChIKeyQRPLKZXNVDYKHA-UHFFFAOYSA-N
XLogP1.00
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 27378090) is N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QRPLKZXNVDYKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c28-19-12-18-23(31)26(9-8-24-22(30)17-6-7-21(29)25-13-17)10-11-27(18)14-20(19)32-15-16-4-2-1-3-5-16/h1-7,12-14H,8-11,15H2,(H,24,30)(H,25,29).
What are the key properties of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 27378090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).