(2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide

C13H20N4O2 — CID 95841028

IUPAC(2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide
SMILESCc1ccc(N2CCO[C@](C)(C(=O)N(C)C)C2)nn1
InChIInChI=1S/C13H20N4O2/c1-10-5-6-11(15-14-10)17-7-8-19-13(2,9-17)12(18)16(3)4/h5-6H,7-9H2,1-4H3/t13-/m0/s1
InChIKeyOLPSTCYCRGKMOW-ZDUSSCGKSA-N
MW264.33 g/mol
LogP0.47
Rot. Bonds2

About (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide

(2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide (PubChem CID 95841028) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide
PubChem CID95841028
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide
SMILESCc1ccc(N2CCO[C@](C)(C(=O)N(C)C)C2)nn1
InChIInChI=1S/C13H20N4O2/c1-10-5-6-11(15-14-10)17-7-8-19-13(2,9-17)12(18)16(3)4/h5-6H,7-9H2,1-4H3/t13-/m0/s1
InChIKeyOLPSTCYCRGKMOW-ZDUSSCGKSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide (CID 95841028) is (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide is Cc1ccc(N2CCO[C@](C)(C(=O)N(C)C)C2)nn1.
What is the InChIKey of (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide?
The InChIKey is OLPSTCYCRGKMOW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-5-6-11(15-14-10)17-7-8-19-13(2,9-17)12(18)16(3)4/h5-6H,7-9H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide?
(2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide is sourced from PubChem (CID 95841028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).