(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide

C16H25N5O2 — CID 120800140

IUPAC(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H25N5O2/c1-20(16(22)14-7-6-13(10-17)23-14)12-4-3-9-21(11-12)15-5-2-8-18-19-15/h2,5,8,12-14H,3-4,6-7,9-11,17H2,1H3/t12?,13-,14+/m1/s1
InChIKeyAZJJUFLBSOLBRL-IUZLNWEFSA-N
MW319.41 g/mol
LogP0.41
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide (PubChem CID 120800140) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
PubChem CID120800140
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
SMILESCN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H25N5O2/c1-20(16(22)14-7-6-13(10-17)23-14)12-4-3-9-21(11-12)15-5-2-8-18-19-15/h2,5,8,12-14H,3-4,6-7,9-11,17H2,1H3/t12?,13-,14+/m1/s1
InChIKeyAZJJUFLBSOLBRL-IUZLNWEFSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide (CID 120800140) is (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide is CN(C(=O)[C@@H]1CC[C@H](CN)O1)C1CCCN(c2cccnn2)C1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide?
The InChIKey is AZJJUFLBSOLBRL-IUZLNWEFSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-20(16(22)14-7-6-13(10-17)23-14)12-4-3-9-21(11-12)15-5-2-8-18-19-15/h2,5,8,12-14H,3-4,6-7,9-11,17H2,1H3/t12?,13-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120800140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).