N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

C18H16F2N4O3 — CID 134799244

IUPACN-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOc1ccccc1Cn1c(=O)c(C(=O)NCC(F)F)nc2cccnc21
InChIInChI=1S/C18H16F2N4O3/c1-27-13-7-3-2-5-11(13)10-24-16-12(6-4-8-21-16)23-15(18(24)26)17(25)22-9-14(19)20/h2-8,14H,9-10H2,1H3,(H,22,25)
InChIKeyJMBMCBUAGUYZAE-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.84
Rot. Bonds6

About N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134799244) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134799244
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC NameN-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESCOc1ccccc1Cn1c(=O)c(C(=O)NCC(F)F)nc2cccnc21
InChIInChI=1S/C18H16F2N4O3/c1-27-13-7-3-2-5-11(13)10-24-16-12(6-4-8-21-16)23-15(18(24)26)17(25)22-9-14(19)20/h2-8,14H,9-10H2,1H3,(H,22,25)
InChIKeyJMBMCBUAGUYZAE-UHFFFAOYSA-N
XLogP1.84
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 134799244) is N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is COc1ccccc1Cn1c(=O)c(C(=O)NCC(F)F)nc2cccnc21.
What is the InChIKey of N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is JMBMCBUAGUYZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-27-13-7-3-2-5-11(13)10-24-16-12(6-4-8-21-16)23-15(18(24)26)17(25)22-9-14(19)20/h2-8,14H,9-10H2,1H3,(H,22,25).
What are the key properties of N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-[(2-methoxyphenyl)methyl]-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134799244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).