N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

C17H19F3N4O2 — CID 146110411

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)n1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)15-3-1-2-12(22-15)8-16(26)23-13-6-11(7-14(13)25)9-24-5-4-21-10-24/h1-5,10-11,13-14,25H,6-9H2,(H,23,26)/t11?,13-,14-/m1/s1
InChIKeyWVTUZMFOGDGPKV-HIDCPEKUSA-N
MW368.36 g/mol
LogP1.80
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 146110411) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID146110411
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)n1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)15-3-1-2-12(22-15)8-16(26)23-13-6-11(7-14(13)25)9-24-5-4-21-10-24/h1-5,10-11,13-14,25H,6-9H2,(H,23,26)/t11?,13-,14-/m1/s1
InChIKeyWVTUZMFOGDGPKV-HIDCPEKUSA-N
XLogP1.80
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.80
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]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide (CID 146110411) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is O=C(Cc1cccc(C(F)(F)F)n1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is WVTUZMFOGDGPKV-HIDCPEKUSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)15-3-1-2-12(22-15)8-16(26)23-13-6-11(7-14(13)25)9-24-5-4-21-10-24/h1-5,10-11,13-14,25H,6-9H2,(H,23,26)/t11?,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 1.80, 5 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]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 146110411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).