6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

C25H21N3O2 — CID 163458464

IUPAC6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1cccc(C2=NC3c4ccccc4C[C@H]3O2)n1
InChIInChI=1S/C25H21N3O2/c29-24(27-19-13-12-15-6-1-3-8-17(15)19)20-10-5-11-21(26-20)25-28-23-18-9-4-2-7-16(18)14-22(23)30-25/h1-11,19,22-23H,12-14H2,(H,27,29)/t19-,22-,23?/m1/s1
InChIKeyBMNJUHGTGKRGKG-YNDSPKASSA-N
MW395.46 g/mol
LogP3.94
Rot. Bonds3

About 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (PubChem CID 163458464) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
PubChem CID163458464
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1cccc(C2=NC3c4ccccc4C[C@H]3O2)n1
InChIInChI=1S/C25H21N3O2/c29-24(27-19-13-12-15-6-1-3-8-17(15)19)20-10-5-11-21(26-20)25-28-23-18-9-4-2-7-16(18)14-22(23)30-25/h1-11,19,22-23H,12-14H2,(H,27,29)/t19-,22-,23?/m1/s1
InChIKeyBMNJUHGTGKRGKG-YNDSPKASSA-N
XLogP3.94
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

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N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
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(6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744958

Frequently Asked Questions

What is the IUPAC name of 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (CID 163458464) is 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCc2ccccc21)c1cccc(C2=NC3c4ccccc4C[C@H]3O2)n1.
What is the InChIKey of 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
The InChIKey is BMNJUHGTGKRGKG-YNDSPKASSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-24(27-19-13-12-15-6-1-3-8-17(15)19)20-10-5-11-21(26-20)25-28-23-18-9-4-2-7-16(18)14-22(23)30-25/h1-11,19,22-23H,12-14H2,(H,27,29)/t19-,22-,23?/m1/s1.
What are the key properties of 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?
6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 163458464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).