(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide

C15H22FN5O2 — CID 129336399

IUPAC(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1
InChIInChI=1S/C15H22FN5O2/c1-20-5-6-23-13(10-20)15(22)17-8-12-7-11(16)9-21(12)14-3-2-4-18-19-14/h2-4,11-13H,5-10H2,1H3,(H,17,22)/t11-,12-,13-/m0/s1
InChIKeyKCQSFQLBKUVEPQ-AVGNSLFASA-N
MW323.37 g/mol
LogP-0.16
Rot. Bonds4

About (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide

(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide (PubChem CID 129336399) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide
PubChem CID129336399
Molecular FormulaC15H22FN5O2
Molecular Weight323.37 g/mol
Exact Mass323.18
IUPAC Name(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1
InChIInChI=1S/C15H22FN5O2/c1-20-5-6-23-13(10-20)15(22)17-8-12-7-11(16)9-21(12)14-3-2-4-18-19-14/h2-4,11-13H,5-10H2,1H3,(H,17,22)/t11-,12-,13-/m0/s1
InChIKeyKCQSFQLBKUVEPQ-AVGNSLFASA-N
XLogP-0.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide (CID 129336399) is (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide is CN1CCO[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1.
What is the InChIKey of (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is KCQSFQLBKUVEPQ-AVGNSLFASA-N. The full InChI is InChI=1S/C15H22FN5O2/c1-20-5-6-23-13(10-20)15(22)17-8-12-7-11(16)9-21(12)14-3-2-4-18-19-14/h2-4,11-13H,5-10H2,1H3,(H,17,22)/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide?
(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 129336399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).