N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C19H21F4N3O3 — CID 90203421

IUPACN-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCC(CC1CC1C#N)NC(=O)c1cc(O[C@@H](C)C(F)(F)F)c(C2(F)COC2)cn1
InChIInChI=1S/C19H21F4N3O3/c1-10(3-12-4-13(12)6-24)26-17(27)15-5-16(29-11(2)19(21,22)23)14(7-25-15)18(20)8-28-9-18/h5,7,10-13H,3-4,8-9H2,1-2H3,(H,26,27)/t10?,11-,12?,13?/m0/s1
InChIKeyFEABYJZZBGJCDV-ZNOXQBFJSA-N
MW415.39 g/mol
LogP3.27
Rot. Bonds7

About N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90203421) has the molecular formula C19H21F4N3O3 and a molecular weight of 415.39 g/mol. Its IUPAC name is N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90203421
Molecular FormulaC19H21F4N3O3
Molecular Weight415.39 g/mol
Exact Mass415.15
IUPAC NameN-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCC(CC1CC1C#N)NC(=O)c1cc(O[C@@H](C)C(F)(F)F)c(C2(F)COC2)cn1
InChIInChI=1S/C19H21F4N3O3/c1-10(3-12-4-13(12)6-24)26-17(27)15-5-16(29-11(2)19(21,22)23)14(7-25-15)18(20)8-28-9-18/h5,7,10-13H,3-4,8-9H2,1-2H3,(H,26,27)/t10?,11-,12?,13?/m0/s1
InChIKeyFEABYJZZBGJCDV-ZNOXQBFJSA-N
XLogP3.27
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90203421) is N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is CC(CC1CC1C#N)NC(=O)c1cc(O[C@@H](C)C(F)(F)F)c(C2(F)COC2)cn1.
What is the InChIKey of N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is FEABYJZZBGJCDV-ZNOXQBFJSA-N. The full InChI is InChI=1S/C19H21F4N3O3/c1-10(3-12-4-13(12)6-24)26-17(27)15-5-16(29-11(2)19(21,22)23)14(7-25-15)18(20)8-28-9-18/h5,7,10-13H,3-4,8-9H2,1-2H3,(H,26,27)/t10?,11-,12?,13?/m0/s1.
What are the key properties of N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 415.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanocyclopropyl)propan-2-yl]-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90203421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).