(3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide

C19H22N4O4 — CID 97436990

IUPAC(3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)N3CC[C@H](NC(C)=O)C3)cn2)c1
InChIInChI=1S/C19H22N4O4/c1-13(24)21-15-8-9-23(12-15)19(25)22-14-6-7-18(20-11-14)27-17-5-3-4-16(10-17)26-2/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyXLORRIYEZYVVPV-HNNXBMFYSA-N
MW370.41 g/mol
LogP2.62
Rot. Bonds5

About (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide

(3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 97436990) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID97436990
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)N3CC[C@H](NC(C)=O)C3)cn2)c1
InChIInChI=1S/C19H22N4O4/c1-13(24)21-15-8-9-23(12-15)19(25)22-14-6-7-18(20-11-14)27-17-5-3-4-16(10-17)26-2/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyXLORRIYEZYVVPV-HNNXBMFYSA-N
XLogP2.62
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-propoxypiperidine-1-carboxamide
CID 72846235
(2S)-N-[6-(3-methoxyphenoxy)-3-pyridinyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 131915781
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
CID 47065724
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684
4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885355
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(4-methoxy-2-pyridinyl)pyrrolidine-1-carboxamide
CID 167988896
1-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-(2-morpholin-4-ylethyl)urea
CID 72887930
N-[6-(3-methoxyphenoxy)-3-pyridinyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 131925783

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide (CID 97436990) is (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide is COc1cccc(Oc2ccc(NC(=O)N3CC[C@H](NC(C)=O)C3)cn2)c1.
What is the InChIKey of (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is XLORRIYEZYVVPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13(24)21-15-8-9-23(12-15)19(25)22-14-6-7-18(20-11-14)27-17-5-3-4-16(10-17)26-2/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide?
(3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[6-(3-methoxyphenoxy)-3-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97436990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).