(3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide

C14H19N3O3 — CID 110203585

IUPAC(3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1COC
InChIInChI=1S/C14H19N3O3/c1-15-13(18)11-8-17(7-10(11)9-20-2)14(19)12-5-3-4-6-16-12/h3-6,10-11H,7-9H2,1-2H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyTWZMJCKBSMWYQX-WDEREUQCSA-N
MW277.32 g/mol
LogP0.16
Rot. Bonds4

About (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110203585) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110203585
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1COC
InChIInChI=1S/C14H19N3O3/c1-15-13(18)11-8-17(7-10(11)9-20-2)14(19)12-5-3-4-6-16-12/h3-6,10-11H,7-9H2,1-2H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyTWZMJCKBSMWYQX-WDEREUQCSA-N
XLogP0.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide (CID 110203585) is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1COC.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is TWZMJCKBSMWYQX-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-15-13(18)11-8-17(7-10(11)9-20-2)14(19)12-5-3-4-6-16-12/h3-6,10-11H,7-9H2,1-2H3,(H,15,18)/t10-,11+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).