(3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide

C15H21N3O4 — CID 110203587

IUPAC(3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1COC
InChIInChI=1S/C15H21N3O4/c1-16-14(19)12-8-18(7-11(12)9-21-2)15(20)10-4-5-13(22-3)17-6-10/h4-6,11-12H,7-9H2,1-3H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyYJIVOOZPKPFEDM-NWDGAFQWSA-N
MW307.35 g/mol
LogP0.17
Rot. Bonds5

About (3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 110203587) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID110203587
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1COC
InChIInChI=1S/C15H21N3O4/c1-16-14(19)12-8-18(7-11(12)9-21-2)15(20)10-4-5-13(22-3)17-6-10/h4-6,11-12H,7-9H2,1-3H3,(H,16,19)/t11-,12+/m0/s1
InChIKeyYJIVOOZPKPFEDM-NWDGAFQWSA-N
XLogP0.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.17
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-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide (CID 110203587) is (3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)nc2)C[C@H]1COC.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is YJIVOOZPKPFEDM-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-16-14(19)12-8-18(7-11(12)9-21-2)15(20)10-4-5-13(22-3)17-6-10/h4-6,11-12H,7-9H2,1-3H3,(H,16,19)/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-1-(6-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 0.17, 5 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-methoxypyridine-3-carbonyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).