5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide

C25H25FN4O2 — CID 156753088

IUPAC5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1/C=C(\F)c1cncc(-c2ccccn2)c1
InChIInChI=1S/C25H25FN4O2/c1-16-17(10-20(15-29-16)25(32)30-23-7-2-3-8-24(23)31)12-21(26)18-11-19(14-27-13-18)22-6-4-5-9-28-22/h4-6,9-15,23-24,31H,2-3,7-8H2,1H3,(H,30,32)/b21-12-/t23-,24-/m0/s1
InChIKeyHTQOTJOTRQQBLM-GAIIKZTDSA-N
MW432.50 g/mol
LogP4.35
Rot. Bonds5

About 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide

5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide (PubChem CID 156753088) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide
PubChem CID156753088
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1/C=C(\F)c1cncc(-c2ccccn2)c1
InChIInChI=1S/C25H25FN4O2/c1-16-17(10-20(15-29-16)25(32)30-23-7-2-3-8-24(23)31)12-21(26)18-11-19(14-27-13-18)22-6-4-5-9-28-22/h4-6,9-15,23-24,31H,2-3,7-8H2,1H3,(H,30,32)/b21-12-/t23-,24-/m0/s1
InChIKeyHTQOTJOTRQQBLM-GAIIKZTDSA-N
XLogP4.35
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide (CID 156753088) is 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1/C=C(\F)c1cncc(-c2ccccn2)c1.
What is the InChIKey of 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide?
The InChIKey is HTQOTJOTRQQBLM-GAIIKZTDSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-16-17(10-20(15-29-16)25(32)30-23-7-2-3-8-24(23)31)12-21(26)18-11-19(14-27-13-18)22-6-4-5-9-28-22/h4-6,9-15,23-24,31H,2-3,7-8H2,1H3,(H,30,32)/b21-12-/t23-,24-/m0/s1.
What are the key properties of 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide?
5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-fluoro-2-(5-pyridin-2-yl-3-pyridinyl)ethenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 156753088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).