N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide

C18H20F2N4O2 — CID 134332180

IUPACN-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCCC(NC(=O)N1CC(=O)NC2=C1N=CCC2)c1ccc(C(F)F)cc1
InChIInChI=1S/C18H20F2N4O2/c1-2-13(11-5-7-12(8-6-11)16(19)20)23-18(26)24-10-15(25)22-14-4-3-9-21-17(14)24/h5-9,13,16H,2-4,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyQOSLKASGRMSEDA-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.25
Rot. Bonds4

About N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide

N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 134332180) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID134332180
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC NameN-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCCC(NC(=O)N1CC(=O)NC2=C1N=CCC2)c1ccc(C(F)F)cc1
InChIInChI=1S/C18H20F2N4O2/c1-2-13(11-5-7-12(8-6-11)16(19)20)23-18(26)24-10-15(25)22-14-4-3-9-21-17(14)24/h5-9,13,16H,2-4,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyQOSLKASGRMSEDA-UHFFFAOYSA-N
XLogP3.25
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)acetamide
CID 153585679
US10285989, Example 67
CID 145996148
US10285989, Example 74
CID 145996155
US10285989, Example 133
CID 145996205
US10285989, Example 141
CID 145996213
US10285989, Example 142
CID 145996214
2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 47029993
N-[2-[[(7aR)-7aH-indol-5-yl]amino]-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
CID 156016596
Pteridine, 8-benzyl-3,4,7,8-tetrahydro-2-hydroxy-3-methyl-4-oxo-
CID 171384434
Pteridine, 8-benzyl-3,4,7,8-tetrahydro-2-hydroxy-3,6,7-trimethyl-4-oxo-
CID 171384451
N-(cyclohexylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 8111099
N-(cyclopentylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221456

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide (CID 134332180) is N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide is CCC(NC(=O)N1CC(=O)NC2=C1N=CCC2)c1ccc(C(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is QOSLKASGRMSEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-2-13(11-5-7-12(8-6-11)16(19)20)23-18(26)24-10-15(25)22-14-4-3-9-21-17(14)24/h5-9,13,16H,2-4,10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide?
N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethyl)phenyl]propyl]-2-oxo-1,3,7,8-tetrahydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 134332180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).