N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

C13H17F2N3O2 — CID 86814812

IUPACN-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCC(F)F)n1)C1CCCN1
InChIInChI=1S/C13H17F2N3O2/c14-11(15)8-20-12-5-1-3-9(18-12)7-17-13(19)10-4-2-6-16-10/h1,3,5,10-11,16H,2,4,6-8H2,(H,17,19)
InChIKeyKLRGJYSEGMSIFW-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.09
Rot. Bonds6

About N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 86814812) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID86814812
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC NameN-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCC(F)F)n1)C1CCCN1
InChIInChI=1S/C13H17F2N3O2/c14-11(15)8-20-12-5-1-3-9(18-12)7-17-13(19)10-4-2-6-16-10/h1,3,5,10-11,16H,2,4,6-8H2,(H,17,19)
InChIKeyKLRGJYSEGMSIFW-UHFFFAOYSA-N
XLogP1.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-2-cyclopropyl-ethyl)-amide
CID 71105599
6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105604
6-Cyclopropylmethoxy-5-trifluoromethyl-pyridine-2-carboxylic acid ((S)-3,3-dimethyl-1-methylcarbamoyl-butyl)-amide
CID 71105658
6-(2,2,3,3,3-Pentafluoro-propoxy)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
CID 71491292
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
(2S)-1-[5-(3,3-Difluoroazetidin-1-yl)-6-(2-fluoroethoxy)pyridine-2-carbonyl]-4,4-difluoro-pyrrolidine-2-carboxamide
CID 76281603
1-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperazine
CID 172434533
US12071420, Example 24
CID 150180972
US12071420, Example 23
CID 151731180
US12071420, Example 22
CID 152035140
1-[6-(2,2-Difluoroethoxy)pyridin-2-yl]methanamine hydrochloride
CID 165456784

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 86814812) is N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccc(OCC(F)F)n1)C1CCCN1.
What is the InChIKey of N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KLRGJYSEGMSIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c14-11(15)8-20-12-5-1-3-9(18-12)7-17-13(19)10-4-2-6-16-10/h1,3,5,10-11,16H,2,4,6-8H2,(H,17,19).
What are the key properties of N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86814812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).