N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

C20H21FN4O3 — CID 134798270

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOCCCn1c(=O)c(C(=O)NCCc2ccc(F)cc2)nc2cccnc21
InChIInChI=1S/C20H21FN4O3/c1-28-13-3-12-25-18-16(4-2-10-22-18)24-17(20(25)27)19(26)23-11-9-14-5-7-15(21)8-6-14/h2,4-8,10H,3,9,11-13H2,1H3,(H,23,26)
InChIKeyFPFFUONAWAVHAA-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.94
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134798270) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134798270
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOCCCn1c(=O)c(C(=O)NCCc2ccc(F)cc2)nc2cccnc21
InChIInChI=1S/C20H21FN4O3/c1-28-13-3-12-25-18-16(4-2-10-22-18)24-17(20(25)27)19(26)23-11-9-14-5-7-15(21)8-6-14/h2,4-8,10H,3,9,11-13H2,1H3,(H,23,26)
InChIKeyFPFFUONAWAVHAA-UHFFFAOYSA-N
XLogP1.94
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 134798270) is N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is COCCCn1c(=O)c(C(=O)NCCc2ccc(F)cc2)nc2cccnc21.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is FPFFUONAWAVHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-28-13-3-12-25-18-16(4-2-10-22-18)24-17(20(25)27)19(26)23-11-9-14-5-7-15(21)8-6-14/h2,4-8,10H,3,9,11-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134798270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).