N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H18F3N3O3 — CID 174755344

IUPACN-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCON=C1CCCC[C@@H]1NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H18F3N3O3/c1-23-21-12-5-3-2-4-11(12)20-14(22)10-6-7-13(19-8-10)24-9-15(16,17)18/h6-8,11H,2-5,9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyFDSFBSUVIXAECP-NSHDSACASA-N
MW345.32 g/mol
LogP2.70
Rot. Bonds5

About N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 174755344) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID174755344
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC NameN-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCON=C1CCCC[C@@H]1NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H18F3N3O3/c1-23-21-12-5-3-2-4-11(12)20-14(22)10-6-7-13(19-8-10)24-9-15(16,17)18/h6-8,11H,2-5,9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyFDSFBSUVIXAECP-NSHDSACASA-N
XLogP2.70
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229368
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46643597
N-cycloheptyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134036717
N-[3-(cyclopropylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 41405689
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 18141584
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119523407
[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 119490982
N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 67239256
N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 174755344) is N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CON=C1CCCC[C@@H]1NC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is FDSFBSUVIXAECP-NSHDSACASA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-23-21-12-5-3-2-4-11(12)20-14(22)10-6-7-13(19-8-10)24-9-15(16,17)18/h6-8,11H,2-5,9H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methoxyiminocyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 174755344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).