2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide

C21H25N3O3 — CID 122572774

IUPAC2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(-c2cccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)nc1C
InChIInChI=1S/C21H25N3O3/c1-12-8-18(20(22)25)19(23-15(12)4)16-6-5-7-17(9-16)21(26)24-10-13(2)27-14(3)11-24/h5-9,13-14H,10-11H2,1-4H3,(H2,22,25)/t13-,14+
InChIKeyZAGOVNVMOSAELX-OKILXGFUSA-N
MW367.45 g/mol
LogP2.71
Rot. Bonds3

About 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide

2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 122572774) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID122572774
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(-c2cccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)nc1C
InChIInChI=1S/C21H25N3O3/c1-12-8-18(20(22)25)19(23-15(12)4)16-6-5-7-17(9-16)21(26)24-10-13(2)27-14(3)11-24/h5-9,13-14H,10-11H2,1-4H3,(H2,22,25)/t13-,14+
InChIKeyZAGOVNVMOSAELX-OKILXGFUSA-N
XLogP2.71
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide (CID 122572774) is 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(N)=O)c(-c2cccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)nc1C.
What is the InChIKey of 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is ZAGOVNVMOSAELX-OKILXGFUSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-12-8-18(20(22)25)19(23-15(12)4)16-6-5-7-17(9-16)21(26)24-10-13(2)27-14(3)11-24/h5-9,13-14H,10-11H2,1-4H3,(H2,22,25)/t13-,14+.
What are the key properties of 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide?
2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 122572774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).