N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide

C18H17ClF3N5O2 — CID 155802695

IUPACN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C18H17ClF3N5O2/c1-16(9-29-17(2,15(23)27-16)18(20,21)22)12-4-3-5-13(25-12)26-14(28)11-7-6-10(19)8-24-11/h3-8H,9H2,1-2H3,(H2,23,27)(H,25,26,28)/t16-,17+/m0/s1
InChIKeyCKRKVUFHQBIJHR-DLBZAZTESA-N
MW427.81 g/mol
LogP3.31
Rot. Bonds3

About N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide

N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide (PubChem CID 155802695) has the molecular formula C18H17ClF3N5O2 and a molecular weight of 427.81 g/mol. Its IUPAC name is N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
PubChem CID155802695
Molecular FormulaC18H17ClF3N5O2
Molecular Weight427.81 g/mol
Exact Mass427.10
IUPAC NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C18H17ClF3N5O2/c1-16(9-29-17(2,15(23)27-16)18(20,21)22)12-4-3-5-13(25-12)26-14(28)11-7-6-10(19)8-24-11/h3-8H,9H2,1-2H3,(H2,23,27)(H,25,26,28)/t16-,17+/m0/s1
InChIKeyCKRKVUFHQBIJHR-DLBZAZTESA-N
XLogP3.31
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide (CID 155802695) is N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide is C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1.
What is the InChIKey of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide?
The InChIKey is CKRKVUFHQBIJHR-DLBZAZTESA-N. The full InChI is InChI=1S/C18H17ClF3N5O2/c1-16(9-29-17(2,15(23)27-16)18(20,21)22)12-4-3-5-13(25-12)26-14(28)11-7-6-10(19)8-24-11/h3-8H,9H2,1-2H3,(H2,23,27)(H,25,26,28)/t16-,17+/m0/s1.
What are the key properties of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide?
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide has a molecular weight of 427.81 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 155802695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).