(3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide

C14H21N3O3 — CID 110203545

IUPAC(3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1C(N)=O
InChIInChI=1S/C14H21N3O3/c1-19-9-10-6-17(8-12(10)14(15)18)7-11-4-3-5-13(16-11)20-2/h3-5,10,12H,6-9H2,1-2H3,(H2,15,18)/t10-,12+/m0/s1
InChIKeyRZQLDRYOYNZVET-CMPLNLGQSA-N
MW279.34 g/mol
LogP0.27
Rot. Bonds6

About (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110203545) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110203545
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1C(N)=O
InChIInChI=1S/C14H21N3O3/c1-19-9-10-6-17(8-12(10)14(15)18)7-11-4-3-5-13(16-11)20-2/h3-5,10,12H,6-9H2,1-2H3,(H2,15,18)/t10-,12+/m0/s1
InChIKeyRZQLDRYOYNZVET-CMPLNLGQSA-N
XLogP0.27
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 110203545) is (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide is COC[C@@H]1CN(Cc2cccc(OC)n2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is RZQLDRYOYNZVET-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-9-10-6-17(8-12(10)14(15)18)7-11-4-3-5-13(16-11)20-2/h3-5,10,12H,6-9H2,1-2H3,(H2,15,18)/t10-,12+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).