4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide

C15H20F2N2O3 — CID 110000173

IUPAC4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
SMILESCC1(CO)CCCC1NC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C15H20F2N2O3/c1-15(9-20)5-2-3-12(15)19-14(21)11-7-10(4-6-18-11)22-8-13(16)17/h4,6-7,12-13,20H,2-3,5,8-9H2,1H3,(H,19,21)
InChIKeyKXVACHCHRPKZDU-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.01
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide

4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide (PubChem CID 110000173) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
PubChem CID110000173
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide
SMILESCC1(CO)CCCC1NC(=O)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C15H20F2N2O3/c1-15(9-20)5-2-3-12(15)19-14(21)11-7-10(4-6-18-11)22-8-13(16)17/h4,6-7,12-13,20H,2-3,5,8-9H2,1H3,(H,19,21)
InChIKeyKXVACHCHRPKZDU-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide
CID 110000328
4-(2,2-difluoroethoxy)-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 110001224
4-(2,2-difluoroethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]pyridine-2-carboxamide
CID 99821091
4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide
CID 110000225
4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide
CID 110000032
4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide
CID 110000175
4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide
CID 110000428
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide
CID 71849712
[4-(2,2-difluoroethoxy)-2-pyridinyl]-[2-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 86783524
N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 97006375
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111474343

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide (CID 110000173) is 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide is CC1(CO)CCCC1NC(=O)c1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide?
The InChIKey is KXVACHCHRPKZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-15(9-20)5-2-3-12(15)19-14(21)11-7-10(4-6-18-11)22-8-13(16)17/h4,6-7,12-13,20H,2-3,5,8-9H2,1H3,(H,19,21).
What are the key properties of 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide?
4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 110000173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).