(3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide

C19H23N3O3 — CID 110203466

IUPAC(3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CNC[C@H]1COc1cccnc1
InChIInChI=1S/C19H23N3O3/c1-24-18-7-3-2-5-14(18)10-22-19(23)17-12-21-9-15(17)13-25-16-6-4-8-20-11-16/h2-8,11,15,17,21H,9-10,12-13H2,1H3,(H,22,23)/t15-,17+/m0/s1
InChIKeyFIVFRUGPGMWDDY-DOTOQJQBSA-N
MW341.41 g/mol
LogP1.62
Rot. Bonds7

About (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide

(3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide (PubChem CID 110203466) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide
PubChem CID110203466
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CNC[C@H]1COc1cccnc1
InChIInChI=1S/C19H23N3O3/c1-24-18-7-3-2-5-14(18)10-22-19(23)17-12-21-9-15(17)13-25-16-6-4-8-20-11-16/h2-8,11,15,17,21H,9-10,12-13H2,1H3,(H,22,23)/t15-,17+/m0/s1
InChIKeyFIVFRUGPGMWDDY-DOTOQJQBSA-N
XLogP1.62
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide (CID 110203466) is (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide is COc1ccccc1CNC(=O)[C@@H]1CNC[C@H]1COc1cccnc1.
What is the InChIKey of (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide?
The InChIKey is FIVFRUGPGMWDDY-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-18-7-3-2-5-14(18)10-22-19(23)17-12-21-9-15(17)13-25-16-6-4-8-20-11-16/h2-8,11,15,17,21H,9-10,12-13H2,1H3,(H,22,23)/t15-,17+/m0/s1.
What are the key properties of (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide?
(3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[(2-methoxyphenyl)methyl]-4-(pyridin-3-yloxymethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).