N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide

C20H23FN6O2 — CID 159703204

IUPACN-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(C)nc1-n1nccn1)[C@@H](C)COc1ncc(C)cc1F
InChIInChI=1S/C20H23FN6O2/c1-5-26(15(4)12-29-19-17(21)10-13(2)11-22-19)20(28)16-7-6-14(3)25-18(16)27-23-8-9-24-27/h6-11,15H,5,12H2,1-4H3/t15-/m0/s1
InChIKeyICMPZDFSZGFKMP-HNNXBMFYSA-N
MW398.44 g/mol
LogP2.74
Rot. Bonds7

About N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide

N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide (PubChem CID 159703204) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide
PubChem CID159703204
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC NameN-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(C)nc1-n1nccn1)[C@@H](C)COc1ncc(C)cc1F
InChIInChI=1S/C20H23FN6O2/c1-5-26(15(4)12-29-19-17(21)10-13(2)11-22-19)20(28)16-7-6-14(3)25-18(16)27-23-8-9-24-27/h6-11,15H,5,12H2,1-4H3/t15-/m0/s1
InChIKeyICMPZDFSZGFKMP-HNNXBMFYSA-N
XLogP2.74
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
CID 159703202
N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-methyl-2-(triazol-2-yl)benzamide
CID 146576877
N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide
CID 146577185
N-ethyl-N-[(2S)-1-(methoxymethoxy)propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 90069302
N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 138555467
N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
CID 146589961
N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
CID 146578001
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide
CID 161459989
4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 146577187
N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157137244
N-[(2S)-1-[[5-(1,1-difluoropropyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-2-[methyl-[(Z)-[(E)-3-methylpent-2-enylidene]amino]amino]benzamide;ethane
CID 145383245
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-methyl-2-(triazol-2-yl)benzamide
CID 157107935

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide (CID 159703204) is N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide is CCN(C(=O)c1ccc(C)nc1-n1nccn1)[C@@H](C)COc1ncc(C)cc1F.
What is the InChIKey of N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide?
The InChIKey is ICMPZDFSZGFKMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-5-26(15(4)12-29-19-17(21)10-13(2)11-22-19)20(28)16-7-6-14(3)25-18(16)27-23-8-9-24-27/h6-11,15H,5,12H2,1-4H3/t15-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide?
N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 159703204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).