2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide

C19H19F2N3O3 — CID 91914006

IUPAC2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1OC1CCN(C(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C19H19F2N3O3/c1-2-22-17(25)14-4-3-8-23-18(14)27-13-7-9-24(11-13)19(26)15-10-12(20)5-6-16(15)21/h3-6,8,10,13H,2,7,9,11H2,1H3,(H,22,25)
InChIKeyZAMBKGCNOMMCDU-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.40
Rot. Bonds5

About 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide

2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide (PubChem CID 91914006) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
PubChem CID91914006
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cccnc1OC1CCN(C(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C19H19F2N3O3/c1-2-22-17(25)14-4-3-8-23-18(14)27-13-7-9-24(11-13)19(26)15-10-12(20)5-6-16(15)21/h3-6,8,10,13H,2,7,9,11H2,1H3,(H,22,25)
InChIKeyZAMBKGCNOMMCDU-UHFFFAOYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[1-(2-methylbenzoyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 91914015
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
CID 91904300
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 99739432
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
(2-chloro-4-fluorophenyl)-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100756942
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267
[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 129417980
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 129355268
3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812
(4-ethoxyphenyl)-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91913913
2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913980
N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide (CID 91914006) is 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide is CCNC(=O)c1cccnc1OC1CCN(C(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide?
The InChIKey is ZAMBKGCNOMMCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-2-22-17(25)14-4-3-8-23-18(14)27-13-7-9-24(11-13)19(26)15-10-12(20)5-6-16(15)21/h3-6,8,10,13H,2,7,9,11H2,1H3,(H,22,25).
What are the key properties of 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide?
2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 91914006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).