(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C19H22FN3O2 — CID 124872162

IUPAC(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccncc2F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(16-9-10-21-12-17(16)20)22-19(24)23-11-3-4-18(23)14-5-7-15(25-2)8-6-14/h5-10,12-13,18H,3-4,11H2,1-2H3,(H,22,24)/t13-,18+/m0/s1
InChIKeyUIWBEKRJDUTKLH-SCLBCKFNSA-N
MW343.40 g/mol
LogP3.84
Rot. Bonds4

About (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide

(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 124872162) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID124872162
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccncc2F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13(16-9-10-21-12-17(16)20)22-19(24)23-11-3-4-18(23)14-5-7-15(25-2)8-6-14/h5-10,12-13,18H,3-4,11H2,1-2H3,(H,22,24)/t13-,18+/m0/s1
InChIKeyUIWBEKRJDUTKLH-SCLBCKFNSA-N
XLogP3.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94121994
(2R)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94121992
(2R)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94121993
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 56796210
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-phenylpyrrolidine-1-carboxamide
CID 55799582
N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87006691
(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94102282
(2R)-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 124619508
(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94801401

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 124872162) is (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccncc2F)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is UIWBEKRJDUTKLH-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13(16-9-10-21-12-17(16)20)22-19(24)23-11-3-4-18(23)14-5-7-15(25-2)8-6-14/h5-10,12-13,18H,3-4,11H2,1-2H3,(H,22,24)/t13-,18+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124872162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).