N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C17H19F2N5O2 — CID 171631407

IUPACN-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCC(CC(F)F)C1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H19F2N5O2/c18-14(19)8-12-4-7-23(11-12)16(25)10-21-17(26)13-2-3-15(20-9-13)24-6-1-5-22-24/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,21,26)
InChIKeyWKJMUTAGIYMLFR-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 171631407) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID171631407
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC NameN-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCC(CC(F)F)C1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H19F2N5O2/c18-14(19)8-12-4-7-23(11-12)16(25)10-21-17(26)13-2-3-15(20-9-13)24-6-1-5-22-24/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,21,26)
InChIKeyWKJMUTAGIYMLFR-UHFFFAOYSA-N
XLogP1.50
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 171631407) is N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is O=C(NCC(=O)N1CCC(CC(F)F)C1)c1ccc(-n2cccn2)nc1.
What is the InChIKey of N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is WKJMUTAGIYMLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c18-14(19)8-12-4-7-23(11-12)16(25)10-21-17(26)13-2-3-15(20-9-13)24-6-1-5-22-24/h1-3,5-6,9,12,14H,4,7-8,10-11H2,(H,21,26).
What are the key properties of N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 171631407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).