3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

C18H23F2N3O3 — CID 67774418

IUPAC3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1OCC1CCCN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C18H23F2N3O3/c19-18(20)7-5-12(6-8-18)17(25)23-10-2-3-13(23)11-26-14-4-1-9-22-15(14)16(21)24/h1,4,9,12-13H,2-3,5-8,10-11H2,(H2,21,24)
InChIKeyICOBIWBDOXTLIF-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.38
Rot. Bonds5

About 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide

3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (PubChem CID 67774418) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
PubChem CID67774418
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1OCC1CCCN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C18H23F2N3O3/c19-18(20)7-5-12(6-8-18)17(25)23-10-2-3-13(23)11-26-14-4-1-9-22-15(14)16(21)24/h1,4,9,12-13H,2-3,5-8,10-11H2,(H2,21,24)
InChIKeyICOBIWBDOXTLIF-UHFFFAOYSA-N
XLogP2.38
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide (CID 67774418) is 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is NC(=O)c1ncccc1OCC1CCCN1C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is ICOBIWBDOXTLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c19-18(20)7-5-12(6-8-18)17(25)23-10-2-3-13(23)11-26-14-4-1-9-22-15(14)16(21)24/h1,4,9,12-13H,2-3,5-8,10-11H2,(H2,21,24).
What are the key properties of 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide?
3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4,4-difluorocyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 67774418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).