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

C23H29N3O4 — CID 27378094

IUPACN-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O
InChIInChI=1S/C23H29N3O4/c1-3-18(4-2)22(28)24-10-11-25-12-13-26-15-21(20(27)14-19(26)23(25)29)30-16-17-8-6-5-7-9-17/h5-9,14-15,18H,3-4,10-13,16H2,1-2H3,(H,24,28)
InChIKeyNFYLJIRVBSDNMJ-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.44
Rot. Bonds9

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

N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide (PubChem CID 27378094) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide
PubChem CID27378094
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O
InChIInChI=1S/C23H29N3O4/c1-3-18(4-2)22(28)24-10-11-25-12-13-26-15-21(20(27)14-19(26)23(25)29)30-16-17-8-6-5-7-9-17/h5-9,14-15,18H,3-4,10-13,16H2,1-2H3,(H,24,28)
InChIKeyNFYLJIRVBSDNMJ-UHFFFAOYSA-N
XLogP2.44
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]-2-ethylbutanamide?
The IUPAC name of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide (CID 27378094) is N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O.
What is the InChIKey of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide?
The InChIKey is NFYLJIRVBSDNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-18(4-2)22(28)24-10-11-25-12-13-26-15-21(20(27)14-19(26)23(25)29)30-16-17-8-6-5-7-9-17/h5-9,14-15,18H,3-4,10-13,16H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide?
N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-ethylbutanamide has a molecular weight of 411.50 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2-ethylbutanamide is sourced from PubChem (CID 27378094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).