N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide

C21H24FN5O4S — CID 51351903

IUPACN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C21H24FN5O4S/c1-21(12-32(29,30)27(2)20(23)26-21)16-9-14(5-7-17(16)22)25-19(28)18-8-6-15(10-24-18)31-11-13-3-4-13/h5-10,13H,3-4,11-12H2,1-2H3,(H2,23,26)(H,25,28)/t21-/m0/s1
InChIKeyIKDLCRWKPXVULI-NRFANRHFSA-N
MW461.52 g/mol
LogP2.07
Rot. Bonds6

About N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 51351903) has the molecular formula C21H24FN5O4S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID51351903
Molecular FormulaC21H24FN5O4S
Molecular Weight461.52 g/mol
Exact Mass461.15
IUPAC NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C21H24FN5O4S/c1-21(12-32(29,30)27(2)20(23)26-21)16-9-14(5-7-17(16)22)25-19(28)18-8-6-15(10-24-18)31-11-13-3-4-13/h5-10,13H,3-4,11-12H2,1-2H3,(H2,23,26)(H,25,28)/t21-/m0/s1
InChIKeyIKDLCRWKPXVULI-NRFANRHFSA-N
XLogP2.07
TPSA126.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 51351903) is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide is CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)CS1(=O)=O.
What is the InChIKey of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is IKDLCRWKPXVULI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24FN5O4S/c1-21(12-32(29,30)27(2)20(23)26-21)16-9-14(5-7-17(16)22)25-19(28)18-8-6-15(10-24-18)31-11-13-3-4-13/h5-10,13H,3-4,11-12H2,1-2H3,(H2,23,26)(H,25,28)/t21-/m0/s1.
What are the key properties of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 51351903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).