2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

C19H21FN4O3 — CID 91913980

IUPAC2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1OC1CCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C19H21FN4O3/c1-23(2)18(25)14-6-5-10-21-17(14)27-13-9-11-24(12-13)19(26)22-16-8-4-3-7-15(16)20/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,26)
InChIKeyKVWOJUMIPXOITC-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.61
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 91913980) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID91913980
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1OC1CCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C19H21FN4O3/c1-23(2)18(25)14-6-5-10-21-17(14)27-13-9-11-24(12-13)19(26)22-16-8-4-3-7-15(16)20/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,26)
InChIKeyKVWOJUMIPXOITC-UHFFFAOYSA-N
XLogP2.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
2-[1-[(2,4-dimethoxyphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913977
2-[1-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913963
2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904295
N-(2-fluorophenyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638455
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
N,N-dimethyl-2-(1-propanoylpiperidin-4-yl)oxypyridine-3-carboxamide
CID 91904245
2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913891
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 129477628
2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904282
3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
CID 91904308
2-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913890

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 91913980) is 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1OC1CCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is KVWOJUMIPXOITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-23(2)18(25)14-6-5-10-21-17(14)27-13-9-11-24(12-13)19(26)22-16-8-4-3-7-15(16)20/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,26).
What are the key properties of 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)carbamoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91913980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).