N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

C16H17F3N4O3S — CID 134466864

IUPACN-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cccnc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C16H17F3N4O3S/c1-4-27-10-6-5-7-21-12(10)14(24)22(2)13-9(20)8-11(16(17,18)19)23(26-3)15(13)25/h5-8H,4,20H2,1-3H3
InChIKeyVFXPORYNQYAGCH-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.29
Rot. Bonds5

About N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide

N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (PubChem CID 134466864) has the molecular formula C16H17F3N4O3S and a molecular weight of 402.40 g/mol. Its IUPAC name is N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
PubChem CID134466864
Molecular FormulaC16H17F3N4O3S
Molecular Weight402.40 g/mol
Exact Mass402.10
IUPAC NameN-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1cccnc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C16H17F3N4O3S/c1-4-27-10-6-5-7-21-12(10)14(24)22(2)13-9(20)8-11(16(17,18)19)23(26-3)15(13)25/h5-8H,4,20H2,1-3H3
InChIKeyVFXPORYNQYAGCH-UHFFFAOYSA-N
XLogP2.29
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide (CID 134466864) is N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is CCSc1cccnc1C(=O)N(C)c1c(N)cc(C(F)(F)F)n(OC)c1=O.
What is the InChIKey of N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The InChIKey is VFXPORYNQYAGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3S/c1-4-27-10-6-5-7-21-12(10)14(24)22(2)13-9(20)8-11(16(17,18)19)23(26-3)15(13)25/h5-8H,4,20H2,1-3H3.
What are the key properties of N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide?
N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 134466864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).