6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide

C13H20N4O3 — CID 128978326

IUPAC6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2C[C@@H](OC)C[C@H]2COC)nn1
InChIInChI=1S/C13H20N4O3/c1-14-13(18)11-4-5-12(16-15-11)17-7-10(20-3)6-9(17)8-19-2/h4-5,9-10H,6-8H2,1-3H3,(H,14,18)/t9-,10-/m0/s1
InChIKeyDCPWFHHUDREBPO-UWVGGRQHSA-N
MW280.33 g/mol
LogP0.08
Rot. Bonds5

About 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide

6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 128978326) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID128978326
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2C[C@@H](OC)C[C@H]2COC)nn1
InChIInChI=1S/C13H20N4O3/c1-14-13(18)11-4-5-12(16-15-11)17-7-10(20-3)6-9(17)8-19-2/h4-5,9-10H,6-8H2,1-3H3,(H,14,18)/t9-,10-/m0/s1
InChIKeyDCPWFHHUDREBPO-UWVGGRQHSA-N
XLogP0.08
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide (CID 128978326) is 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2C[C@@H](OC)C[C@H]2COC)nn1.
What is the InChIKey of 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is DCPWFHHUDREBPO-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-14-13(18)11-4-5-12(16-15-11)17-7-10(20-3)6-9(17)8-19-2/h4-5,9-10H,6-8H2,1-3H3,(H,14,18)/t9-,10-/m0/s1.
What are the key properties of 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 128978326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).