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

C19H21F4N3O3 — CID 90203420

IUPACN-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESC[C@H](Oc1cc(C(=O)NC(C)(C#N)CC2CC2)ncc1C1(F)COC1)C(F)(F)F
InChIInChI=1S/C19H21F4N3O3/c1-11(19(21,22)23)29-15-5-14(25-7-13(15)18(20)9-28-10-18)16(27)26-17(2,8-24)6-12-3-4-12/h5,7,11-12H,3-4,6,9-10H2,1-2H3,(H,26,27)/t11-,17?/m0/s1
InChIKeyFUBOFIXTYZTJCN-PIJUOJQZSA-N
MW415.39 g/mol
LogP3.42
Rot. Bonds7

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

N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90203420) has the molecular formula C19H21F4N3O3 and a molecular weight of 415.39 g/mol. Its IUPAC name is N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90203420
Molecular FormulaC19H21F4N3O3
Molecular Weight415.39 g/mol
Exact Mass415.15
IUPAC NameN-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESC[C@H](Oc1cc(C(=O)NC(C)(C#N)CC2CC2)ncc1C1(F)COC1)C(F)(F)F
InChIInChI=1S/C19H21F4N3O3/c1-11(19(21,22)23)29-15-5-14(25-7-13(15)18(20)9-28-10-18)16(27)26-17(2,8-24)6-12-3-4-12/h5,7,11-12H,3-4,6,9-10H2,1-2H3,(H,26,27)/t11-,17?/m0/s1
InChIKeyFUBOFIXTYZTJCN-PIJUOJQZSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90203657
5-cyclopropyl-N-[2,2-dimethyl-1-(methylcarbamoyl)propyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90203953
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204089
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204154
N-[1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-(3-fluorooxetan-3-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204352
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)picolinamide
CID 90204486
N-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-4-[1-fluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90214982
5-cyclopropyl-N-[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 76280926
N-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 76281188
5-cyclopropyl-N-[3-cyclopropyl-2-methyl-1-(methylamino)-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 76281189
N-(3-amino-1-cyclopropyl-3-oxopropyl)-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 76281193
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 76281194

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90203420) is N-(2-cyano-1-cyclopropylpropan-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-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is C[C@H](Oc1cc(C(=O)NC(C)(C#N)CC2CC2)ncc1C1(F)COC1)C(F)(F)F.
What is the InChIKey of N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is FUBOFIXTYZTJCN-PIJUOJQZSA-N. The full InChI is InChI=1S/C19H21F4N3O3/c1-11(19(21,22)23)29-15-5-14(25-7-13(15)18(20)9-28-10-18)16(27)26-17(2,8-24)6-12-3-4-12/h5,7,11-12H,3-4,6,9-10H2,1-2H3,(H,26,27)/t11-,17?/m0/s1.
What are the key properties of N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
N-(2-cyano-1-cyclopropylpropan-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 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-cyclopropylpropan-2-yl)-5-(3-fluorooxetan-3-yl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90203420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).