N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C16H17F3N4O2 — CID 146110168

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)14-2-1-11(7-21-14)15(25)22-12-5-10(6-13(12)24)8-23-4-3-20-9-23/h1-4,7,9-10,12-13,24H,5-6,8H2,(H,22,25)/t10?,12-,13-/m1/s1
InChIKeyVZVMUGNPTGYHHN-SKVSWLLESA-N
MW354.33 g/mol
LogP1.87
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146110168) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146110168
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)14-2-1-11(7-21-14)15(25)22-12-5-10(6-13(12)24)8-23-4-3-20-9-23/h1-4,7,9-10,12-13,24H,5-6,8H2,(H,22,25)/t10?,12-,13-/m1/s1
InChIKeyVZVMUGNPTGYHHN-SKVSWLLESA-N
XLogP1.87
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 146110168) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VZVMUGNPTGYHHN-SKVSWLLESA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)14-2-1-11(7-21-14)15(25)22-12-5-10(6-13(12)24)8-23-4-3-20-9-23/h1-4,7,9-10,12-13,24H,5-6,8H2,(H,22,25)/t10?,12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146110168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).