N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C18H22F3N3O2 — CID 90214975

IUPACN-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESC[C@H](Oc1cc(C(=O)NC(C#N)C(C)(C)C)ncc1C1CC1)C(F)(F)F
InChIInChI=1S/C18H22F3N3O2/c1-10(18(19,20)21)26-14-7-13(23-9-12(14)11-5-6-11)16(25)24-15(8-22)17(2,3)4/h7,9-11,15H,5-6H2,1-4H3,(H,24,25)/t10-,15?/m0/s1
InChIKeyKTVDLKRXVBLUHD-MYHCZTBNSA-N
MW369.39 g/mol
LogP3.96
Rot. Bonds5

About N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90214975) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90214975
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESC[C@H](Oc1cc(C(=O)NC(C#N)C(C)(C)C)ncc1C1CC1)C(F)(F)F
InChIInChI=1S/C18H22F3N3O2/c1-10(18(19,20)21)26-14-7-13(23-9-12(14)11-5-6-11)16(25)24-15(8-22)17(2,3)4/h7,9-11,15H,5-6H2,1-4H3,(H,24,25)/t10-,15?/m0/s1
InChIKeyKTVDLKRXVBLUHD-MYHCZTBNSA-N
XLogP3.96
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90214975) is N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is C[C@H](Oc1cc(C(=O)NC(C#N)C(C)(C)C)ncc1C1CC1)C(F)(F)F.
What is the InChIKey of N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is KTVDLKRXVBLUHD-MYHCZTBNSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-10(18(19,20)21)26-14-7-13(23-9-12(14)11-5-6-11)16(25)24-15(8-22)17(2,3)4/h7,9-11,15H,5-6H2,1-4H3,(H,24,25)/t10-,15?/m0/s1.
What are the key properties of N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90214975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).