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4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)

C71H88N8O — CID 159967187

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)
SMILESCC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1ccncc1.CNC(=O)c1cc(C(C)(C)C)ccn1
InChIInChI=1S/3C13H15N.C12H14N2.C11H16N2O.C9H13N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-11(2,3)8-5-6-13-9(7-8)10(14)12-4;1-9(2,3)8-4-6-10-7-5-8/h3*4-9H,1-3H3;4-8H,1-3H3;5-7H,1-4H3,(H,12,14);4-7H,1-3H3
InChIKeyOEBUXMDOWUVIHG-UHFFFAOYSA-N
MW1069.54 g/mol
LogP17.64
Rot. Bonds1

About 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)

4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline) (PubChem CID 159967187) has the molecular formula C71H88N8O and a molecular weight of 1069.54 g/mol. Its IUPAC name is 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline).

Molecular Properties

Compound Name4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)
PubChem CID159967187
Molecular FormulaC71H88N8O
Molecular Weight1069.54 g/mol
Exact Mass1068.71
IUPAC Name4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)
SMILESCC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1ccncc1.CNC(=O)c1cc(C(C)(C)C)ccn1
InChIInChI=1S/3C13H15N.C12H14N2.C11H16N2O.C9H13N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-11(2,3)8-5-6-13-9(7-8)10(14)12-4;1-9(2,3)8-4-6-10-7-5-8/h3*4-9H,1-3H3;4-8H,1-3H3;5-7H,1-4H3,(H,12,14);4-7H,1-3H3
InChIKeyOEBUXMDOWUVIHG-UHFFFAOYSA-N
XLogP17.64
TPSA119.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.54
LogP ≤ 517.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)?
The IUPAC name of 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline) (CID 159967187) is 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline).
What is the SMILES notation for 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)?
The canonical SMILES for 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline) is CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1ccncc1.CNC(=O)c1cc(C(C)(C)C)ccn1.
What is the InChIKey of 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)?
The InChIKey is OEBUXMDOWUVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H15N.C12H14N2.C11H16N2O.C9H13N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-11(2,3)8-5-6-13-9(7-8)10(14)12-4;1-9(2,3)8-4-6-10-7-5-8/h3*4-9H,1-3H3;4-8H,1-3H3;5-7H,1-4H3,(H,12,14);4-7H,1-3H3.
What are the key properties of 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline)?
4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline) has a molecular weight of 1069.54 g/mol, XLogP of 17.64, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methylpyridine-2-carboxamide;4-tert-butylpyridine;6-tert-butylquinazoline;6-tert-butylquinoline;bis(7-tert-butylquinoline) is sourced from PubChem (CID 159967187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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