methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

C41H42N6O4 — CID 162024552

IUPACmethane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
SMILESC.Cc1cc(C(=O)NC2CCc3cc(-c4ncc(C)o4)ccc32)ccn1.Cc1cc(C(=O)N[C@@H]2CCc3cc(-c4ncc(C)o4)ccc32)ccn1
InChIInChI=1S/2C20H19N3O2.CH4/c2*1-12-9-15(7-8-21-12)19(24)23-18-6-4-14-10-16(3-5-17(14)18)20-22-11-13(2)25-20;/h2*3,5,7-11,18H,4,6H2,1-2H3,(H,23,24);1H4/t18-;;/m1../s1
InChIKeyYVERTWSSGYJGKK-JPKZNVRTSA-N
MW682.83 g/mol
LogP8.18
Rot. Bonds6

About methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (PubChem CID 162024552) has the molecular formula C41H42N6O4 and a molecular weight of 682.83 g/mol. Its IUPAC name is methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Namemethane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
PubChem CID162024552
Molecular FormulaC41H42N6O4
Molecular Weight682.83 g/mol
Exact Mass682.33
IUPAC Namemethane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
SMILESC.Cc1cc(C(=O)NC2CCc3cc(-c4ncc(C)o4)ccc32)ccn1.Cc1cc(C(=O)N[C@@H]2CCc3cc(-c4ncc(C)o4)ccc32)ccn1
InChIInChI=1S/2C20H19N3O2.CH4/c2*1-12-9-15(7-8-21-12)19(24)23-18-6-4-14-10-16(3-5-17(14)18)20-22-11-13(2)25-20;/h2*3,5,7-11,18H,4,6H2,1-2H3,(H,23,24);1H4/t18-;;/m1../s1
InChIKeyYVERTWSSGYJGKK-JPKZNVRTSA-N
XLogP8.18
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.83
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The IUPAC name of methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (CID 162024552) is methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The canonical SMILES for methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is C.Cc1cc(C(=O)NC2CCc3cc(-c4ncc(C)o4)ccc32)ccn1.Cc1cc(C(=O)N[C@@H]2CCc3cc(-c4ncc(C)o4)ccc32)ccn1.
What is the InChIKey of methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The InChIKey is YVERTWSSGYJGKK-JPKZNVRTSA-N. The full InChI is InChI=1S/2C20H19N3O2.CH4/c2*1-12-9-15(7-8-21-12)19(24)23-18-6-4-14-10-16(3-5-17(14)18)20-22-11-13(2)25-20;/h2*3,5,7-11,18H,4,6H2,1-2H3,(H,23,24);1H4/t18-;;/m1../s1.
What are the key properties of methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide has a molecular weight of 682.83 g/mol, XLogP of 8.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 162024552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).