N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide

C16H19F4N5O2 — CID 175305152

IUPACN-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide
SMILESCC(=O)NC1(NCc2cc(F)c(OCC(F)(F)F)nc2C)C=NC=C(C)N1
InChIInChI=1S/C16H19F4N5O2/c1-9-5-21-7-16(24-9,25-11(3)26)22-6-12-4-13(17)14(23-10(12)2)27-8-15(18,19)20/h4-5,7,22,24H,6,8H2,1-3H3,(H,25,26)
InChIKeyLWTGKJXEXSJPOF-UHFFFAOYSA-N
MW389.35 g/mol
LogP1.89
Rot. Bonds6

About N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide

N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide (PubChem CID 175305152) has the molecular formula C16H19F4N5O2 and a molecular weight of 389.35 g/mol. Its IUPAC name is N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide
PubChem CID175305152
Molecular FormulaC16H19F4N5O2
Molecular Weight389.35 g/mol
Exact Mass389.15
IUPAC NameN-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide
SMILESCC(=O)NC1(NCc2cc(F)c(OCC(F)(F)F)nc2C)C=NC=C(C)N1
InChIInChI=1S/C16H19F4N5O2/c1-9-5-21-7-16(24-9,25-11(3)26)22-6-12-4-13(17)14(23-10(12)2)27-8-15(18,19)20/h4-5,7,22,24H,6,8H2,1-3H3,(H,25,26)
InChIKeyLWTGKJXEXSJPOF-UHFFFAOYSA-N
XLogP1.89
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509106
2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811038
2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
CID 174836824
methyl 5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 67508524
5,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 174746135
N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 161085351
2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174836817
2-acetamido-N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
CID 175300278
2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047
2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811271
N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 151677049
2-[[5-fluoro-2-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl-(2-methylpropanoyl)amino]pyridine-4-carboxamide
CID 175016131

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide?
The IUPAC name of N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide (CID 175305152) is N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide?
The canonical SMILES for N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide is CC(=O)NC1(NCc2cc(F)c(OCC(F)(F)F)nc2C)C=NC=C(C)N1.
What is the InChIKey of N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide?
The InChIKey is LWTGKJXEXSJPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N5O2/c1-9-5-21-7-16(24-9,25-11(3)26)22-6-12-4-13(17)14(23-10(12)2)27-8-15(18,19)20/h4-5,7,22,24H,6,8H2,1-3H3,(H,25,26).
What are the key properties of N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide?
N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide has a molecular weight of 389.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-fluoro-2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]-6-methyl-1H-pyrazin-2-yl]acetamide is sourced from PubChem (CID 175305152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).