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

C19H16ClF3N6O2 — CID 70356253

IUPACN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3ncc(C#N)cc3Cl)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1
InChIKeyDPIDWDAWIQYLLV-ZWKOTPCHSA-N
MW452.82 g/mol
LogP3.18
Rot. Bonds3

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

N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide (PubChem CID 70356253) has the molecular formula C19H16ClF3N6O2 and a molecular weight of 452.82 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]-3-chloro-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
PubChem CID70356253
Molecular FormulaC19H16ClF3N6O2
Molecular Weight452.82 g/mol
Exact Mass452.10
IUPAC NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3ncc(C#N)cc3Cl)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1
InChIInChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/m0/s1
InChIKeyDPIDWDAWIQYLLV-ZWKOTPCHSA-N
XLogP3.18
TPSA126.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Umibecestat
CID 88602735
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-3,5-dichloropyridine-2-carboxamide
CID 89951906
3-Chloro-5-cyano-pyridine-2-carboxylic acid [6-((3R, 6R)-5-amino-3,6-dimethyl-6-trifluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-5-fluoro-pyridin-2-yl]-amide
CID 70355131
5-Cyano-3-methyl-pyridine-2-carboxylic acid [6-((3R,6R)-5-amino-3,6-dimethyl-6-trifluoromethyl-3,6-dihydro-2H-[1,4]oxazin-3-yl)-5-fluoro-pyridin-2-yl]-amide
CID 70356221
N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 70356350
N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoropyridin-2-yl]-3,5-dichloropyridine-2-carboxamide
CID 71273898
5-Cyano-3-methyl-pyridine-2-carboxylic acid {6-[(R)-2-amino-5,5-difluoro-4-(2-methoxy-ethyl)-5,6-dihydro-4H-[1,3]oxazin-4-yl]-5-fluoro-pyridin-2-yl}-amide
CID 71273947
N-[6-[(4R)-2-amino-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-4-yl]-5-fluoropyridin-2-yl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 71274016
N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoropyridin-2-yl]-3-chloro-5-cyanopyridine-2-carboxamide
CID 71274019
3-Chloro-5-trifluoromethyl-pyridine-2-carboxylic acid [6-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-5-fluoro-pyridin-2-yl]-amide
CID 71529262
N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoropyridin-2-yl]-5-cyanopyridine-2-carboxamide
CID 71529465
N-(6-((4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl)-5-fluoropyridin-2-yl)-5-cyanopicolinamide
CID 77461103

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]-3-chloro-5-cyanopyridine-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]-3-chloro-5-cyanopyridine-2-carboxamide (CID 70356253) is N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-3-chloro-5-cyanopyridine-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]-3-chloro-5-cyanopyridine-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]-3-chloro-5-cyanopyridine-2-carboxamide is C[C@@]1(c2cccc(NC(=O)c3ncc(C#N)cc3Cl)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]-3-chloro-5-cyanopyridine-2-carboxamide?
The InChIKey is DPIDWDAWIQYLLV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H16ClF3N6O2/c1-17(9-31-18(2,16(25)29-17)19(21,22)23)12-4-3-5-13(27-12)28-15(30)14-11(20)6-10(7-24)8-26-14/h3-6,8H,9H2,1-2H3,(H2,25,29)(H,27,28,30)/t17-,18+/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]-3-chloro-5-cyanopyridine-2-carboxamide?
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-2-pyridinyl]-3-chloro-5-cyanopyridine-2-carboxamide has a molecular weight of 452.82 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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]-3-chloro-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 70356253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).