2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide

C23H29N3O2 — CID 26395277

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide
SMILESCc1cccc(CNC(=O)C2(N3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)n1
InChIInChI=1S/C23H29N3O2/c1-16-7-6-10-21(25-16)13-24-22(27)23(26-14-17(2)28-18(3)15-26)11-19-8-4-5-9-20(19)12-23/h4-10,17-18H,11-15H2,1-3H3,(H,24,27)/t17-,18+
InChIKeyUKSPNWABAAAZNQ-HDICACEKSA-N
MW379.50 g/mol
LogP2.65
Rot. Bonds4

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide (PubChem CID 26395277) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide
PubChem CID26395277
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide
SMILESCc1cccc(CNC(=O)C2(N3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)n1
InChIInChI=1S/C23H29N3O2/c1-16-7-6-10-21(25-16)13-24-22(27)23(26-14-17(2)28-18(3)15-26)11-19-8-4-5-9-20(19)12-23/h4-10,17-18H,11-15H2,1-3H3,(H,24,27)/t17-,18+
InChIKeyUKSPNWABAAAZNQ-HDICACEKSA-N
XLogP2.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide (CID 26395277) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide is Cc1cccc(CNC(=O)C2(N3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)n1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is UKSPNWABAAAZNQ-HDICACEKSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-7-6-10-21(25-16)13-24-22(27)23(26-14-17(2)28-18(3)15-26)11-19-8-4-5-9-20(19)12-23/h4-10,17-18H,11-15H2,1-3H3,(H,24,27)/t17-,18+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 26395277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).